Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD1 | P21728 | 1/20 | 0.31 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL31612525 | 0.79 | ABCB11 (0.42) | ABCB11MEN1KMT2AALDH1A1RAB9A | |
| SCHEMBL13814014 | 0.79 | ABCB11 (0.42) | ABCB11MEN1KMT2AALDH1A1RAB9A | |
| SCHEMBL31612522 | 0.72 | ABCB11 (0.44) | ABCB11MEN1KMT2AALDH1A1RAB9A | |
| SCHEMBL11707798 | 0.69 | CYP3A4 (0.46) | ALDH1A1 | |
| SCHEMBL9508968 | 0.69 | MEN1 (0.33) | MEN1KMT2A | |
| SCHEMBL8928647 | 0.69 | MAPK1 (0.43) | ABCB11MEN1KMT2AALDH1A1RAB9A | |
| SCHEMBL8666830 | 0.68 | ABCB11 (0.50) | ABCB11MEN1KMT2AALDH1A1BACE1 | |
| SCHEMBL4645395 | 0.68 | ABCB11 (0.49) | ABCB11MEN1KMT2AALDH1A1RAB9A | |
| SCHEMBL11245676 | 0.67 | ABCB11 (0.41) | ABCB11MEN1KMT2AALDH1A1RAB9A | |
| SCHEMBL29407367 | 0.67 | ABCB11 (0.38) | ABCB11MEN1KMT2AALDH1A1RAB9A |
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-0399293-B1 | PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE | BAYER AG (DE) | 1993-09-01 | — | — | EP | disclosed |
| US-5095157-A | Friedel-crafts catalyst | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-10 | — | — | US | disclosed |
| EP-0399293-A1 | Process for preparing 2-chloro-4-nitro-alkylbenzene | BAYER AG (DE) | 1990-11-28 | — | — | EP | disclosed |