Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18876146 | 0.98 | HSD11B1 (0.35) | HSD11B1F2RL3NPC1RAB9ACYP2A6 | |
| SCHEMBL3852220 | 0.78 | ALDH1A1 (0.46) | HSD11B1NPC1RAB9AALDH1A1ADORA3 | |
| SCHEMBL8012765 | 0.78 | HSD17B10 (0.46) | NPC1RAB9AALDH1A1 | |
| SCHEMBL20600854 | 0.74 | NQO2 (0.38) | CYP2A6 | |
| SCHEMBL15150618 | 0.74 | TGFBR1 (0.30) | — | |
| SCHEMBL28204123 | 0.74 | CYP3A4 (0.37) | NPC1RAB9AALDH1A1 | |
| SCHEMBL30798871 | 0.74 | GLRA3 (0.36) | NPC1ALDH1A1P2RX7 | |
| SCHEMBL28631122 | 0.74 | HSD11B1 (0.33) | HSD11B1NPC1RAB9A | |
| SCHEMBL29324218 | 0.73 | POLB (0.38) | — | |
| SCHEMBL23872332 | 0.72 | ADRA2A (0.31) | NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-109420525-B | Metal iridium catalyst of 2, 2' -bis-benzimidazole ligand and method for synthesizing N-methylated primary amine by using metal iridium catalyst | 南京理工大学 | 2021-10-08 | — | — | CN | disclosed |