Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 4/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.34 |
| ▸ | CDK9 | P50750 | 2/20 | 0.34 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL31717615 | 1.00 | HCRTR1 (0.41) | HCRTR1HCRTR2TRPV1RAB9AROCK2 | |
| SCHEMBL14072136 | 0.90 | KDM4E (0.41) | HCRTR1HCRTR2TRPV1ROCK2KDM4E | |
| SCHEMBL3931727 | 0.90 | KDM4E (0.41) | HCRTR1HCRTR2TRPV1ROCK2KDM4E | |
| SCHEMBL20581205 | 0.90 | HCRTR1 (0.44) | HCRTR1HCRTR2TRPV1RAB9AKDM4E | |
| SCHEMBL18953095 | 0.90 | HCRTR1 (0.44) | HCRTR1HCRTR2TRPV1RAB9AKDM4E | |
| SCHEMBL18976245 | 0.89 | HPGD (0.42) | RAB9AKDM4EALDH1A1LMNACYP2D6 | |
| SCHEMBL23627805 | 0.88 | TRPV1 (0.41) | HCRTR1HCRTR2TRPV1ROCK2KDM4E | |
| SCHEMBL18575373 | 0.88 | TRPV1 (0.41) | HCRTR1HCRTR2TRPV1ROCK2KDM4E | |
| SCHEMBL29740475 | 0.88 | TRPV1 (0.41) | HCRTR1HCRTR2TRPV1ROCK2KDM4E | |
| SCHEMBL21941171 | 0.85 | HCRTR1 (0.43) | HCRTR1HCRTR2TRPV1RAB9AROCK2 |
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-2017098257-A1 | PBD ANTIBACTERIAL AGENTS | KING'S COLLEGE LONDON (GB) | 2017-06-15 | — | — | WO | disclosed |