Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | NQO2 | P16083 | 2/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.45 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.42 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.42 |
| ▸ | METAP1 | P53582 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL10078298 | 0.77 | MPO (0.52) | MAOBAKR1C2HSD17B10PTGS1AKR1C3 | |
| SCHEMBL10299758 | 0.77 | PTGDR2 (0.47) | MAOBAKR1C2AKR1C3NQO2MTNR1A | |
| SCHEMBL11459878 | 0.77 | CYP19A1 (0.52) | HSD17B10NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL7305882 | 0.76 | RXRA (0.45) | MAOBNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL10929316 | 0.76 | AKR1B1 (0.46) | MTNR1AMTNR1BSMN1; SMN2ALDH1A1 | |
| SCHEMBL6825612 | 0.74 | CYP19A1 (0.53) | SMN1; SMN2ALDH1A1LMNACYP19A1CYP17A1 | |
| SCHEMBL7100367 | 0.73 | AKR1C2 (0.47) | AKR1C2HSD17B10PTGS1AKR1C3NQO2 | |
| SCHEMBL7820683 | 0.72 | NQO2 (0.61) | AKR1C2HSD17B10PTGS1AKR1C3NQO2 | |
| SCHEMBL7981256 | 0.72 | MAOB (0.62) | MAOBNQO2MTNR1AMTNR1BMAPK14 | |
| SCHEMBL7981254 | 0.72 | MAOB (0.62) | MAOBNQO2MTNR1AMTNR1BMAPK14 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0709370-B1 | Bicyclic compounds useful as platelet aggregation inhibitors | MITSUI CHEMICALS INC (JP) | 1999-01-13 | — | — | EP | disclosed |
| US-5629321-A | FIBRINOGEN ANTAGONIST | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0709370-A1 | Bicyclic compounds useful as platelet aggregation inhibitors | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1996-05-01 | — | — | EP | disclosed |