Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR2 | P30518 | 2/20 | 0.65 |
| ▸ | OXTR | P30559 | 2/20 | 0.65 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.65 |
| ▸ | GAA | P10253 | 1/20 | 0.63 |
| ▸ | HTT | P42858 | 1/20 | 0.63 |
| ▸ | HPGD | P15428 | 2/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 4/20 | 0.57 |
| ▸ | HTR1A | P08908 | 2/20 | 0.57 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.57 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | KDM1A | O60341 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1696893 | 0.93 | AVPR2 (0.72) | AVPR2OXTRAVPR1AGAAHPGD | |
| SCHEMBL15031161 | 0.90 | GAA (0.66) | GAAHTTHPGDALDH1A1KMT2A | |
| SCHEMBL1690106 | 0.86 | GAA (0.62) | GAAHTTHPGDALDH1A1KMT2A | |
| SCHEMBL5899199 | 0.85 | GAA (0.66) | GAAHTTHPGDALDH1A1KMT2A | |
| SCHEMBL18719367 | 0.84 | GAA (0.62) | GAAHTTHPGDALDH1A1KMT2A | |
| SCHEMBL15031151 | 0.82 | MEN1 (0.71) | AVPR2OXTRAVPR1AGAAHTT | |
| SCHEMBL18773860 | 0.80 | KMT2A (0.72) | GAAHTTHPGDALDH1A1KMT2A | |
| SCHEMBL1695841 | 0.80 | HTT (0.60) | AVPR2OXTRAVPR1AGAAHTT | |
| SCHEMBL10274436 | 0.80 | HPGD (0.63) | HTTHPGDALDH1A1KMT2AMEN1 | |
| SCHEMBL2056373 | 0.80 | POLB (0.56) | AVPR2OXTRAVPR1ARAB9AHTR1A |
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 |
|---|---|---|---|---|---|---|---|
| US-8252830-B2 | Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-08-28 | — | — | US | disclosed |
| US-8163749-B2 | Six-membered heterocycles useful as serine protease inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-04-24 | — | — | US | disclosed |
| 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-20110028446-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2011-02-03 | — | — | US | disclosed |
| US-20090181983-A1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | BRISTOL -MEYERS SQUIBB COMPANY | 2009-07-16 | — | — | 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 (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-20120088758-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | F12, F11, F5 | AVPR2 554/4885OXTR 1206/4885AVPR1A 409/4885 |
| US-20090181983-A1 | SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | TFPI, F11, F12 | AVPR2 580/4885OXTR 1034/4885AVPR1A 402/4885 |
| US-20090036438-A1 | FIVE-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS | F12, F11, F5 | AVPR2 554/4885OXTR 1206/4885AVPR1A 409/4885 |
| US-20110028446-A1 | ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS | TFPI, F11, F12 | AVPR2 1211/4885OXTR 2451/4885AVPR1A 925/4885 |
“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.