Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.43 |
| ▸ | ESRRG | P62508 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.36 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31619475 | 0.83 | CES2 (0.52) | KIF11EPHX2ALDH1A1NPC1RAB9A | |
| SCHEMBL19182935 | 0.81 | MEN1 (0.47) | HIF1ACYP2C9CYP2D6MAPTNPC1 | |
| SCHEMBL4517619 | 0.80 | MAPT (0.50) | HIF1ACYP2C9CYP2D6MAPTALDH1A1 | |
| SCHEMBL4517129 | 0.80 | MAPT (0.50) | HIF1ACYP2C9CYP2D6MAPTALDH1A1 | |
| SCHEMBL4517127 | 0.80 | MAPT (0.50) | HIF1ACYP2C9CYP2D6MAPTALDH1A1 | |
| SCHEMBL28367958 | 0.79 | MEN1 (0.50) | HIF1ACYP2C9CYP2D6MAPTNPC1 | |
| SCHEMBL2130948 | 0.79 | CA1 (0.42) | HIF1ACYP2C9CYP2D6NPC1RAB9A | |
| SCHEMBL4517779 | 0.79 | TRPV1 (0.43) | KIF11HIF1ACYP2C9CYP2D6CA1 | |
| SCHEMBL20943289 | 0.79 | KDM4E (0.43) | KDM4EBLM | |
| SCHEMBL262460 | 0.78 | MAPT (0.48) | PTGS1ESRRGHIF1ACYP2C9CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0276122-B1 | CYCLOALKYL-SUBSTITUTED 4-AMINOPHENYL HALO DERIVATIVES AND PROCESS FOR THEIR PREPARATION | FARMITALIA CARLO ERBA S.r.l. (IT) | 1991-08-07 | — | — | EP | disclosed |
| US-4847295-A | ANTITUMOR AGENTS | FARMITALIA CARLO ERBA S.R.L. (IT) | 1989-07-11 | — | — | US | disclosed |
| EP-0276122-A2 | Cycloalkyl-substituted 4-aminophenyl halo derivatives and process for their preparation | FARMITALIA CARLO ERBA S.r.l. (IT) | 1988-07-27 | — | — | EP | disclosed |