Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 12/20 | 0.56 |
| ▸ | RAB9A | P51151 | 12/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 10/20 | 0.56 |
| ▸ | PKM | P14618 | 5/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.56 |
| ▸ | TP53 | P04637 | 4/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.56 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.56 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.54 |
| ▸ | FLT1 | P17948 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 6/20 | 0.48 |
| ▸ | BTK | Q06187 | 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 | |
|---|---|---|---|---|
| SCHEMBL1645967 | 0.81 | SMN1; SMN2 (0.57) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL12659577 | 0.81 | NPC1 (0.57) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL4411489 | 0.77 | NPC1 (0.57) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL15661264 | 0.76 | KDM4E (0.61) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL1645381 | 0.76 | MMP2 (0.56) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL1646052 | 0.76 | CDK1 (0.61) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL30634854 | 0.74 | NPC1 (1.00) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL172216 | 0.74 | NPC1 (1.00) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL30561047 | 0.74 | NPC1 (1.00) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL16471207 | 0.74 | BTK (0.48) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7638518-B2 | Substituted pyrazole kinase inhibitors | JANSSEN PHARMACEUTICA (BE) | 2009-12-29 | — | — | US | disclosed |
| US-7638518-B2 | Substituted pyrazole kinase inhibitors | JANSSEN PHARMACEUTICA (BE) | 2009-12-29 | — | — | US | disclosed |
| US-20080153844-A1 | 3-(Benzimidazol-2-yl)pyrazole derivatives; inhibitors of ATP and protein kinase interactions; diabetes, rheumatoid arthritis, Crohn's disease, septic shock, cachexia, pancreatitis, Alzheimer's disease, Parkinson's disease; antimetastasis, anticarcinogenic, antitumor, antidepressant, antiallergen agents | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-06-26 | — | — | US | disclosed |
| US-20080153844-A1 | 3-(Benzimidazol-2-yl)pyrazole derivatives; inhibitors of ATP and protein kinase interactions; diabetes, rheumatoid arthritis, Crohn's disease, septic shock, cachexia, pancreatitis, Alzheimer's disease, Parkinson's disease; antimetastasis, anticarcinogenic, antitumor, antidepressant, antiallergen agents | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-06-26 | — | — | US | 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-20080153844-A1 | 3-(Benzimidazol-2-yl)pyrazole derivatives; inhibitors of ATP and protein kinase interactions; diabetes, rheumatoid arthritis, Crohn's disease, septic shock, cachexia, pancreatitis, Alzheimer's disease, Parkinson's disease; antimetastasis, anticarcinogenic, antitumor, antidepressant, antiallergen agents | ADK, ATP5ME, ATP5MK | NPC1 4476/4885RAB9A 2168/4885ALDH1A1 4210/4885 |
“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.