Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 6/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.44 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.44 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | PAM | P19021 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1981928 | 0.88 | TTR (0.55) | TTRMAOBUNGFBP1FOLH1 | |
| SCHEMBL1981926 | 0.88 | TTR (0.55) | TTRMAOBUNGFBP1FOLH1 | |
| SCHEMBL28179497 | 0.82 | TTR (0.59) | PARP1POLBCYP3A4MAPTTSHR | |
| SCHEMBL10414534 | 0.81 | PARP1 (0.47) | PARP1POLBCYP3A4MAPTTSHR | |
| SCHEMBL10414532 | 0.81 | PARP1 (0.47) | PARP1POLBCYP3A4MAPTTSHR | |
| SCHEMBL13699195 | 0.80 | PARP1 (0.49) | PARP1TSHRTTRFBP1PTGS1 | |
| SCHEMBL8717218 | 0.78 | PARP1 (0.47) | PARP1POLBCYP3A4MAPTTSHR | |
| SCHEMBL10668927 | 0.78 | PRSS1 (0.57) | PRSS1PRSS2PRSS3 | |
| SCHEMBL10668916 | 0.78 | PRSS1 (0.57) | PRSS1PRSS2PRSS3 | |
| SCHEMBL6168342 | 0.76 | CYP1B1 (0.68) | CYP3A4MAPTRECQLTDP1MAOB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1140985-A1 | SUBSTITUTED HETEROCYCLIC ACYL-TRIPEPTIDES USEFUL AS THROMBIN RECEPTOR MODULATORS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000035942-A1 | SUBSTITUTED HETEROCYCLIC ACYL-TRIPEPTIDES USEFUL AS THROMBIN RECEPTOR MODULATORS | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2000-06-22 | — | — | WO | disclosed |