Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 3/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 4/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.36 |
| ▸ | HPGDS | O60760 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | ICMT | O60725 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21094393 | 0.89 | NPC1 (0.40) | NPC1RAB9AATMTRPM8ADORA3 | |
| SCHEMBL21093670 | 0.86 | TRPM8 (0.43) | NPC1RAB9AATMTRPM8CHRNB4 | |
| SCHEMBL21094386 | 0.86 | RIPK1 (0.38) | NPC1RAB9AATMTRPM8CHRNB4 | |
| SCHEMBL21094410 | 0.86 | NPC1 (0.40) | NPC1RAB9AATMTRPM8ADORA3 | |
| SCHEMBL21094089 | 0.86 | CNR2 (0.38) | TRPM8CHRNB4CHRNA3CA1CA2 | |
| SCHEMBL21094394 | 0.85 | NPC1 (0.41) | NPC1RAB9AATMTRPM8ADORA3 | |
| SCHEMBL21094092 | 0.84 | GABRA5 (0.40) | NPC1RAB9AATMHPGDS | |
| SCHEMBL21094405 | 0.81 | PKM (0.40) | NPC1RAB9AATMTRPM8KDM4E | |
| SCHEMBL21094086 | 0.80 | NPC1 (0.40) | NPC1RAB9AATMTRPM8CHRNB4 | |
| SCHEMBL20835498 | 0.76 | CHRNB4 (0.46) | ATMCHRNB4CHRNA3 |
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 |