Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17206953 | 0.83 | CSF1R (0.36) | NPC1CYP3A4CYP2C9CYP2C19RAB9A | |
| Hydrochloric Acid SCHEMBL28422368 | 0.82 | CSF1R (0.35) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL12179253 | 0.72 | — | — | |
| SCHEMBL18951865 | 0.72 | — | — | |
| SCHEMBL24387253 | 0.71 | — | — | |
| SCHEMBL21375682 | 0.71 | CDK2 (0.44) | — | |
| SCHEMBL2592546 | 0.71 | — | — | |
| SCHEMBL27677447 | 0.67 | — | — | |
| SCHEMBL8009074 | 0.67 | — | — | |
| SCHEMBL22096431 | 0.67 | CSF1R (0.36) | NPC1RAB9A |
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-2018052772-A1 | HETEROARYL CARBOXAMIDE COMPOUNDS AS INHIBITORS OF RIPK2 | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2018-03-22 | — | — | WO | disclosed |