Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 10/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | ILK | Q13418 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL21211578 | 0.80 | CA2 (0.37) | CA2CYP2A6RAB9ANPC1CYP1A2 | |
| SCHEMBL3478461 | 0.74 | RAB9A (0.40) | CA2CYP2A6RAB9ANPC1CYP1A2 | |
| SCHEMBL3962610 | 0.74 | CYP2A6 (0.38) | CYP2A6RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL31009687 | 0.74 | CYP2A6 (0.38) | CYP2A6RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL18878582 | 0.73 | CYP2A6 (0.41) | CYP2A6RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL6121215 | 0.71 | CYP2A6 (0.39) | CYP2A6RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL6813386 | 0.71 | APP (0.41) | CYP2A6RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL5646366 | 0.69 | CYP2A6 (0.38) | CYP2A6RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL2093940 | 0.69 | CYP2A6 (0.38) | CYP2A6RAB9ANPC1CYP1A2CYP3A4 | |
| SCHEMBL4283955 | 0.69 | MAPT (0.45) | CA2CYP2A6RAB9ANPC1CYP1A2 |
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-9676901-B2 | Conjugated polymers | MERCK PATENT GMBH (DE) | 2017-06-13 | — | — | US | disclosed |