Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | PAOX | Q6QHF9 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | KDM6B | O15054 | 1/20 | 0.39 |
| ▸ | KDM5C | P41229 | 1/20 | 0.39 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.39 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.39 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 2/20 | 0.32 |
| ▸ | GABRR3 | A8MPY1 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28602077 | 1.00 | ALDH1A1 (0.56) | ALDH1A1PAOXLMNASLC15A2KDM4E | |
| SCHEMBL30202278 | 1.00 | ALDH1A1 (0.56) | ALDH1A1PAOXLMNASLC15A2KDM4E | |
| SCHEMBL15368107 | 1.00 | ALDH1A1 (0.56) | ALDH1A1PAOXLMNASLC15A2KDM4E | |
| SCHEMBL23438059 | 0.87 | PAOX (0.56) | ALDH1A1PAOXLMNASLC15A2KDM4E | |
| SCHEMBL8155389 | 0.85 | ALDH1A1 (0.77) | ALDH1A1PAOXLMNASLC15A2KDM4E | |
| SCHEMBL2439884 | 0.85 | ALDH1A1 (0.77) | ALDH1A1PAOXLMNASLC15A2KDM4E | |
| SCHEMBL4705539 | 0.85 | GABRR1 (0.45) | ALDH1A1PAOXLMNAKDM4EGABRR1 | |
| SCHEMBL6697349 | 0.85 | GABRR1 (0.45) | ALDH1A1PAOXLMNAKDM4EGABRR1 | |
| Tromethamine SCHEMBL9781553 | 0.85 | LMNA (0.40) | ALDH1A1PAOXLMNASLC15A2KDM4E | |
| SCHEMBL8641970 | 0.84 | PAOX (0.58) | ALDH1A1PAOXLMNASLC15A2KDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114040778-A | Cell binding molecule-Tubulysin derivative conjugate and preparation method thereof | 杭州多禧生物科技有限公司 | 2022-02-11 | — | — | CN | disclosed |
| US-7002012-B2 | Substituted (1,3-bis(cyclohexylmethyl)-1,2,3,6-tetrahydro-2,6-dioxo-9h-purin-8-YI)phenyl derivatives, their preparation and their use in the treatment of inflammatory conditions and immune disorders | SMITHKLINE BEECHAM CORPORATION (US) | 2006-02-21 | — | — | US | disclosed |
| EP-0970081-B1 | SUBSTITUTED (1,3-BIS(CYCLOHEXYLMETHYL)-1,2,3,6-TETRAHYDRO-2,6-DIOXO-9H-PURIN-8-YL)PHENYL DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF INFLAMMATORY CONDITIONS AND IMMUNE DISORDERS | GLAXO GROUP LTD (GB) | 2005-09-14 | — | — | EP | disclosed |
| US-20030181471-A1 | Substituted (1,3-bis(cyclohexylmethyl)-1,2,3,6-tetrahydro-2,6-dioxo-9h-purin-8-YI)phenyl derivatives, their preparation and their use in the treatment of inflammatory conditions and immune disorders | DALUGE SUSAN MARY (US) | 2003-09-25 | — | — | US | disclosed |
| US-6437124-B1 | XANTHINE DERIVATIVES WHICH INHIBIT EXPRESSION OF ADHESION MOLECULES ON HUMAN UMBILICAL VEIN ENDOTHELIAL CELL (HUVEC) MONOLAYERS AT VERY LOW CONCENTRATIONS | SMITHKLINE BEECHAM CORPORATION | 2002-08-20 | — | — | US | disclosed |
| US-6355646-B1 | IMMUNOLOGY TREATMENT OF INFLAMMATORY CONDITIONS AND IMMUNE DISORDERS SEPTIC SHOCK | GLAXO WELLCOME INC. | 2002-03-12 | — | — | US | disclosed |
| EP-0970081-A1 | SUBSTITUTED (1,3-BIS(CYCLOHEXYLMETHYL)-1,2,3,6-TETRAHYDRO-2,6-DIOXO-9H-PURIN-8-YL)PHENYL DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF INFLAMMATORY CONDITIONS AND IMMUNE DISORDERS | GLAXO GROUP LIMITED (GB) | 2000-01-12 | — | — | EP | disclosed |
| WO-1998035966-A1 | SUBSTITUTED (1,3-BIS(CYCLOHEXYLMETHYL)-1,2,3,6-TETRAHYDRO-2,6-DIOXO-9H-PURIN-8-YL)PHENYL DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF INFLAMMATORY CONDITIONS AND IMMUNE DISORDERS | GLAXO GROUP LIMITED (GB) | 1998-08-20 | — | — | WO | 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 (1 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-20030181471-A1 | Substituted (1,3-bis(cyclohexylmethyl)-1,2,3,6-tetrahydro-2,6-dioxo-9h-purin-8-YI)phenyl derivatives, their preparation and their use in the treatment of inflammatory conditions and immune disorders | NOD1, PURB, NOD2 | ALDH1A1 2547/4885PAOX 914/4885LMNA 3030/4885 |
“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.