Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 5/20 | 0.38 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.36 |
| ▸ | RAD52 | P43351 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | ACKR3 | P25106 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL21094394 | 0.88 | NPC1 (0.41) | NPC1RAB9AATMTAAR1CHRNB4 | |
| SCHEMBL21094410 | 0.85 | NPC1 (0.40) | NPC1RAB9AATMTAAR1CHRNB4 | |
| SCHEMBL21094092 | 0.83 | GABRA5 (0.40) | NPC1RAB9AATMRXFP1 | |
| SCHEMBL21094386 | 0.83 | RIPK1 (0.38) | NPC1RAB9AATMCHRNB4CHRNA3 | |
| SCHEMBL21094409 | 0.82 | KMT2A (0.43) | LMNAMEN1CYP2C9CYP2C19KMT2A | |
| SCHEMBL21094393 | 0.81 | NPC1 (0.40) | NPC1RAB9AATMCHRNB4CHRNA3 | |
| SCHEMBL21094397 | 0.80 | NPC1 (0.39) | NPC1RAB9AATMCDC7CHRNB4 | |
| SCHEMBL21093670 | 0.79 | TRPM8 (0.43) | NPC1RAB9AATMLMNAMEN1 | |
| SCHEMBL21094405 | 0.74 | PKM (0.40) | NPC1RAB9AATMLMNAMAPT | |
| SCHEMBL21093657 | 0.72 | CA1 (0.43) | NPC1RAB9ACA1CA2TRPM8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019112024-A1 | PYRROLIDINE COMPOUND | キッセイ薬品工業株式会社 | 2019-06-13 | — | — | WO | disclosed |