Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 4/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | TRPM8 | Q7Z2W7 | 3/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | ALPL | P05186 | 2/20 | 0.34 |
| ▸ | ALPI | P09923 | 1/20 | 0.34 |
| ▸ | ALPG | P10696 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 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 | |
|---|---|---|---|---|
| SCHEMBL21094410 | 0.90 | NPC1 (0.40) | NPC1RAB9AATMCA1CA2 | |
| SCHEMBL21094092 | 0.88 | GABRA5 (0.40) | NPC1RAB9AATMBRD4EPHX2 | |
| SCHEMBL21094086 | 0.88 | NPC1 (0.40) | NPC1RAB9AATMCA1CA2 | |
| SCHEMBL21094393 | 0.86 | NPC1 (0.40) | NPC1RAB9AATMCA1CA2 | |
| SCHEMBL21094397 | 0.85 | NPC1 (0.39) | NPC1RAB9AATMCA1CA2 | |
| SCHEMBL21093670 | 0.83 | TRPM8 (0.43) | NPC1RAB9AATMCA1CA2 | |
| SCHEMBL21094386 | 0.83 | RIPK1 (0.38) | NPC1RAB9AATMCA1CA2 | |
| SCHEMBL21094409 | 0.83 | KMT2A (0.43) | — | |
| SCHEMBL21094405 | 0.79 | PKM (0.40) | NPC1RAB9AATMTRPM8MAPT | |
| SCHEMBL21093657 | 0.77 | 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 |