Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | HTR1D | P28221 | 1/20 | 0.47 |
| ▸ | HTR1B | P28222 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | TNF | P01375 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13212024 | 0.83 | HRH3 (0.63) | RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL2907800 | 0.79 | KDM4E (0.58) | RAB9ANPC1KDM4EHTTGAA | |
| SCHEMBL13683756 | 0.78 | NPC1 (0.62) | RAB9ANPC1ALDH1A1KDM4EABCB1 | |
| Iodide SCHEMBL5165156 | 0.78 | KDM4E (0.57) | RAB9ANPC1ALDH1A1KDM4EHTT | |
| Hydrochloric Acid SCHEMBL2907065 | 0.78 | KDM4E (0.57) | RAB9ANPC1ALDH1A1KDM4EHTT | |
| SCHEMBL2991638 | 0.76 | ABCB1 (0.49) | ABCB1ABCG2 | |
| SCHEMBL29374947 | 0.76 | KMT2A (0.70) | RAB9ASMN1; SMN2ALDH1A1TDP1KDM4E | |
| SCHEMBL22516048 | 0.76 | KMT2A (0.70) | RAB9ASMN1; SMN2ALDH1A1TDP1KDM4E | |
| SCHEMBL13683749 | 0.76 | TNF (0.51) | ALDH1A1KDM4EABCB1ABCG2KMT2A | |
| SCHEMBL846574 | 0.75 | BTK (0.65) | RAB9ANPC1ALDH1A1KDM4EMAPT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150259329-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | INTRA CELLULAR THERAPIES INC (US) | 2015-09-17 | — | — | US | disclosed |
| US-9056837-B2 | Heterocycle compounds and uses thereof | INTRA-CELLULAR THERAPIES, INC. (US) | 2015-06-16 | — | — | US | disclosed |
| US-20130123269-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | INTRA-CELLULAR THERAPIES, INC. (US) | 2013-05-16 | — | — | US | disclosed |
| US-8367686-B2 | Heterocycle compounds and uses thereof | INTRA-CELLULAR THERAPIES, INC. (US) | 2013-02-05 | — | — | US | disclosed |
| US-20100173924-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | INTRA-CELLULAR THERAPIES INC. | 2010-07-08 | — | — | US | disclosed |
| EP-2166858-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | Intra-Cellular Therapies, Inc. (US) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008153959-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | INTRA-CELLULAR THERAPIES, INC. (US) | 2008-12-18 | — | — | 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 (3 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-20150259329-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | PYGB, BACE1, APP | RAB9A 2953/4885NPC1 602/4885SMN1; SMN2 1778/4885 |
| US-20100173924-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | PYGB, BACE1, APP | RAB9A 2913/4885NPC1 549/4885SMN1; SMN2 1524/4885 |
| US-20130123269-A1 | NOVEL HETEROCYCLE COMPOUNDS AND USES THEREOF | PYGB, BACE1, APP | RAB9A 2953/4885NPC1 602/4885SMN1; SMN2 1778/4885 |
“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.