Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | RECQL | P46063 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 4/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.52 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7726536 | 0.83 | CYP1A2 (0.62) | CYP1A2RECQLNPC1RAB9APOLB | |
| SCHEMBL14178890 | 0.81 | RAB9A (0.57) | CYP1A2RECQLNPC1RAB9APOLB | |
| SCHEMBL29140365 | 0.80 | CYP1A2 (0.61) | CYP1A2RECQLNPC1RAB9AEPHX1 | |
| SCHEMBL7718195 | 0.80 | CYP1A2 (0.61) | CYP1A2RECQLNPC1RAB9APOLB | |
| SCHEMBL10742560 | 0.80 | CYP1A2 (0.68) | CYP1A2RECQLHPGDRAB9APOLB | |
| SCHEMBL5205624 | 0.78 | NPC1 (0.69) | HPGDNPC1RAB9APOLBEPHX2 | |
| SCHEMBL14595946 | 0.78 | CYP1A2 (0.46) | MAPK1CYP1A2RECQLHPGDNPC1 | |
| SCHEMBL8324607 | 0.78 | MTNR1A (0.71) | HPGDNPC1RAB9APOLBSMN1; SMN2 | |
| SCHEMBL3188745 | 0.77 | ENPP3 (0.69) | HPGDNPC1RAB9AEPHX2EPHX1 | |
| SCHEMBL7920767 | 0.76 | MAPK1 (1.00) | MAPK1CYP1A2RECQLNPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-109988093-B | Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine | 广东东阳光药业有限公司 | 2023-04-07 | — | — | CN | disclosed |
| US-6391887-B1 | ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; CARDIOVASCULAR DISORDERS | SCHERING AKTIENGESELLSCHAFT (DE) | 2002-05-21 | — | — | US | disclosed |