Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | ATP6V1B1 | P15313 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | THPO | P40225 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2458425 | 0.84 | CYP2A6 (0.69) | CYP2A6CYP1A2CYP2D6MAPTNPSR1 | |
| SCHEMBL2458423 | 0.84 | CYP2A6 (0.69) | CYP2A6CYP1A2CYP2D6MAPTNPSR1 | |
| SCHEMBL17433415 | 0.80 | CYP2A6 (0.51) | CYP2A6CYP1A2CYP2D6MAPTNPSR1 | |
| SCHEMBL701421 | 0.80 | CYP2A6 (0.51) | CYP2A6CYP1A2CYP2D6MAPTNPSR1 | |
| SCHEMBL701423 | 0.80 | CYP2A6 (0.51) | CYP2A6CYP1A2CYP2D6MAPTNPSR1 | |
| SCHEMBL31448047 | 0.77 | CYP2A6 (0.60) | CYP2A6CYP1A2CYP2D6MAPTNPSR1 | |
| SCHEMBL27764950 | 0.77 | CYP2A6 (0.60) | CYP2A6CYP1A2CYP2D6MAPTNPSR1 | |
| SCHEMBL15359580 | 0.76 | CYP2A6 (0.64) | CYP2A6CYP1A2CYP2D6MAPTNPSR1 | |
| SCHEMBL9834598 | 0.75 | CYP2A6 (0.58) | CYP2A6CYP1A2CYP2D6MAPTNPSR1 | |
| SCHEMBL538250 | 0.75 | CYP2A6 (0.58) | CYP2A6CYP1A2CYP2D6MAPTNPSR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016004513-A1 | ANTI-BACTERIAL PYRUVATE KINASE MODULATOR COMPOUNDS, COMPOSITIONS, USES AND METHODS | SIMON FRASER UNIVERSITY (CA) | 2016-01-14 | — | — | WO | disclosed |
| EP-0362695-B1 | PYRROLOCARBAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS | GÖDECKE AKTIENGESELLSCHAFT (DE) | 1991-04-03 | — | — | EP | disclosed |
| US-4912107-A | Pyrrolocarbazole derivatives, compositions containing them, and methods for using them | GOEDECKE AKTIENGESELLSCHAFT (DE) | 1990-03-27 | — | — | US | disclosed |