Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 1/20 | 0.75 |
| ▸ | HPGD | P15428 | 1/20 | 0.75 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.75 |
| ▸ | NAT1 | P18440 | 6/20 | 0.71 |
| ▸ | MYC | P01106 | 4/20 | 0.71 |
| ▸ | MAX | P61244 | 3/20 | 0.71 |
| ▸ | CISD1 | Q9NZ45 | 3/20 | 0.71 |
| ▸ | CA2 | P00918 | 1/20 | 0.71 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.71 |
| ▸ | NPC1 | O15118 | 1/20 | 0.70 |
| ▸ | RAB9A | P51151 | 1/20 | 0.70 |
| ▸ | CRHBP | P24387 | 1/20 | 0.70 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.70 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.70 |
| ▸ | CLK1 | P49759 | 1/20 | 0.70 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.70 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.70 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.70 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.70 |
| ▸ | MAOA | P21397 | 1/20 | 0.67 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8167436 | 1.00 | PIM1 (0.75) | PIM1HPGDPIM2NAT1MYC | |
| SCHEMBL2547566 | 0.86 | PIM1 (1.00) | PIM1HPGDPIM2CISD1NPC1 | |
| SCHEMBL2545594 | 0.86 | PIM1 (1.00) | PIM1HPGDPIM2CISD1NPC1 | |
| SCHEMBL2545596 | 0.86 | PIM1 (1.00) | PIM1HPGDPIM2CISD1NPC1 | |
| SCHEMBL12961168 | 0.85 | NAT1 (0.73) | NAT1MYCMAXCISD1CA2 | |
| SCHEMBL1125089 | 0.85 | NAT1 (0.73) | NAT1MYCMAXCISD1CA2 | |
| SCHEMBL1125091 | 0.85 | NAT1 (0.73) | NAT1MYCMAXCISD1CA2 | |
| SCHEMBL4057695 | 0.84 | CRHBP (0.67) | PIM1HPGDPIM2NAT1MYC | |
| SCHEMBL4057692 | 0.84 | CRHBP (0.67) | PIM1HPGDPIM2NAT1MYC | |
| SCHEMBL4056380 | 0.84 | HPGD (0.82) | HPGDMYCMAXCISD1NPC1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9115122-B2 | Non-ATP dependent inhibitors of extracellular signal-regulated kinase (ERK) | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2015-08-25 | — | — | US | disclosed |
| US-20140179743-A1 | NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) | UNIVERSITY OF MARYLAND, BALTIMORE (US) | 2014-06-26 | — | — | US | disclosed |
| US-8637556-B2 | Linked Myc-max small molecule inhibitors | University of Pittsburgh—of the Commonwealth System of Higher Education (US) | 2014-01-28 | — | — | US | disclosed |
| EP-2541329-A1 | CHARGE CONTROLLING AGENT AND TONER USING SAME | Hodogaya Chemical Co., Ltd. (JP) | 2013-01-02 | — | — | EP | disclosed |
| US-20120315576-A1 | CHARGE CONTROLLING AGENT AND TONER USING SAME | HODOGAYA CHEMICAL CO., LTD. (JP) | 2012-12-13 | — | — | US | disclosed |
| US-20120315576-A1 | CHARGE CONTROLLING AGENT AND TONER USING SAME | HODOGAYA CHEMICAL CO., LTD. (JP) | 2012-12-13 | — | — | US | disclosed |
| US-20120015989-A1 | LINKED MYC-MAX SMALL MOLECULE INHIBITORS | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION | 2012-01-19 | — | — | US | disclosed |
| US-7655446-B2 | Crystal structure of Rho-kinase I kinase domain complexes and binding pockets thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-02-02 | — | — | US | disclosed |
| US-20090036654-A1 | Crystal structure of Rho-kinase I kinase domain complexes and binding pockets thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2009-02-05 | — | — | US | disclosed |
| WO-2000018748-A1 | RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS | ROCHE DIAGNOSTICS GMBH (DE) | 2000-04-06 | — | — | WO | disclosed |
| EP-0915090-A1 | Compounds useful as hypoglycemic agents and for treating Alzheimer's disease | ELI LILLY AND COMPANY (US) | 1999-05-12 | — | — | EP | disclosed |
| US-5716975-A | NONTOXIC RHODANINE DERIVATIVES; ANTIDIABETIC AGENTS, CATHEPSIN D INHIBITORS, B-AMYLOID PROTEIN REDUCTION | ELI LILLY AND COMPANY (US) | 1998-02-10 | — | — | US | disclosed |
| US-5661168-A | ADMINISTERING RHODANINE DERIVATIVES TO CONTROL DIABETES | ELI LILLY AND COMPANY (US) | 1997-08-26 | — | — | US | disclosed |
| US-5523314-A | RHODANINE DERIVATIVES | ELI LILLY AND COMPANY (US) | 1996-06-04 | — | — | US | disclosed |
| EP-0587377-A2 | Thiazolidinone derivatives as hypoglycemic agents and for treating Alzheimer's disease | ELI LILLY AND COMPANY (US) | 1994-03-16 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120015989-A1 | LINKED MYC-MAX SMALL MOLECULE INHIBITORS | MYC, MAX, MYCBP | PIM1 14/4885HPGD 3714/4885PIM2 24/4885 |
| US-20140179743-A1 | NON-ATP DEPENDENT INHIBITORS OF EXTRACELLULAR SIGNAL-REGULATED KINASE (ERK) | MAPK1, MAP3K1, MAP3K20 | PIM1 1073/4885HPGD 1733/4885PIM2 1638/4885 |
| US-20090036654-A1 | Crystal structure of Rho-kinase I kinase domain complexes and binding pockets thereof | ROCK1, CIT, ROCK2 | PIM1 492/4885HPGD 2578/4885PIM2 659/4885 |
| US-20120315576-A1 | CHARGE CONTROLLING AGENT AND TONER USING SAME | NPY1R, HCRTR1, CCKAR | PIM1 3705/4885HPGD 3690/4885PIM2 4123/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.