Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | SETDB1 | Q15047 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8417208 | 0.88 | HSP90AA1 (0.47) | HSP90AA1CYP1A2KDM4EHSP90AB1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8416963 | 0.87 | HSP90AA1 (0.47) | HSP90AA1CYP1A2KDM4EHSP90AB1SMN1; SMN2 | |
| SCHEMBL8417130 | 0.85 | HSP90AA1 (0.39) | HSP90AA1CYP1A2KDM4EHSP90AB1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8414327 | 0.84 | HSP90AA1 (0.41) | HSP90AA1CYP1A2SETDB1HSP90AB1ALDH1A1 | |
| SCHEMBL8414102 | 0.78 | HSP90AA1 (0.44) | HSP90AA1CYP1A2SETDB1HSP90AB1ALDH1A1 | |
| SCHEMBL7391656 | 0.77 | TDP1 (0.51) | CYP1A2KDM4ESMN1; SMN2TSHRALDH1A1 | |
| Hydrochloric Acid SCHEMBL8415989 | 0.75 | TDP1 (0.44) | HSP90AA1SETDB1HSP90AB1NPC1RAB9A | |
| SCHEMBL8414098 | 0.74 | TSHR (0.47) | CYP1A2KDM4ESMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL10438855 | 0.72 | CYP4F2 (0.58) | KDM4ESMN1; SMN2TSHRALDH1A1HPGD | |
| SCHEMBL8558186 | 0.71 | NOTUM (0.42) | KDM4ESMN1; SMN2TSHRALDH1A1HPGD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5880284-A | HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS | DR. KARL THOMAE GMBH (DE) | 1999-03-09 | — | — | US | disclosed |