Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.62 |
| ▸ | RAB9A | P51151 | 3/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.52 |
| ▸ | PTGES | O14684 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.51 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.51 |
| ▸ | AHR | P35869 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL15676743 | 0.89 | NPC1 (0.66) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1690511 | 0.86 | NPC1 (0.61) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18718041 | 0.84 | NPC1 (0.56) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1696350 | 0.84 | POLB (0.60) | NPC1RAB9ACYP1A2CYP3A4CYP2C19 | |
| SCHEMBL28997861 | 0.82 | MEN1 (0.69) | NPC1RAB9AALDH1A1KDM4EMAPT | |
| SCHEMBL18773847 | 0.79 | KMT2A (0.77) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21914836 | 0.78 | NPC1 (0.80) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4642544 | 0.78 | NPC1 (1.00) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL30184438 | 0.78 | NPC1 (1.00) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL27561288 | 0.77 | RAB9A (0.79) | NPC1RAB9ACYP1A2CYP3A4CYP2D6 |
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-20120088758-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2012-04-12 | — | — | US | disclosed |
| US-8101778-B2 | Five-membered heterocycles useful as serine protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-01-24 | — | — | US | disclosed |
| US-20090036438-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-02-05 | — | — | US | disclosed |
| US-7453002-B2 | thrombotic or an inflammatory disorders; improved factor XIa and/or plasma kallikrein inhibitory activity and selectivity, dosage requirment, costs or feasibility, side effect reduction; 4-(aminomethyl)-N-[2-phenyl-1-(4-pyridin-2-yl-1H-imidazol-2-yl)ethyl]-trans-cyclohexanecarboxamide | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-11-18 | — | — | 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 (2 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-20120088758-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | F12, F11, F5 | NPC1 3968/4885RAB9A 818/4885CYP1A2 1968/4885 |
| US-20090036438-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | F12, F11, F5 | NPC1 3968/4885RAB9A 818/4885CYP1A2 1968/4885 |
“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.