Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.35 |
| ▸ | IDO1 | P14902 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.35 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8093673 | 0.87 | GABRA1 (0.48) | MAPK1TDP1GABRA1GABRB2CYP3A4 | |
| SCHEMBL11464398 | 0.85 | TDP1 (0.35) | MAPK1TDP1GABRA1GABRB2CYP3A4 | |
| SCHEMBL27609924 | 0.85 | CYP2A6 (0.38) | MAPK1TDP1GABRA1GABRB2CYP3A4 | |
| SCHEMBL10885710 | 0.85 | MAPK1 (0.37) | MAPK1TDP1GABRA1GABRB2CYP3A4 | |
| SCHEMBL7704447 | 0.81 | CYP3A4 (0.33) | MAPK1TDP1GABRA1GABRB2CYP3A4 | |
| SCHEMBL11763846 | 0.81 | CYP3A4 (0.52) | MAPK1TDP1GABRA1GABRB2CYP3A4 | |
| SCHEMBL9551375 | 0.81 | CYP3A4 (0.39) | MAPK1TDP1GABRA1GABRB2CYP3A4 | |
| SCHEMBL30111366 | 0.79 | TDP1 (0.42) | MAPK1TDP1GABRA1GABRB2CYP3A4 | |
| SCHEMBL10316536 | 0.79 | TDP1 (0.42) | MAPK1TDP1GABRA1GABRB2CYP3A4 | |
| SCHEMBL10883870 | 0.79 | CYP3A4 (0.40) | MAPK1TDP1GABRA1GABRB2CYP3A4 |
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-0009787-B2 | PROCESS FOR THE MONOHALOGENATION OF ALKYLBENZENES IN ALPHA POSITION | BAYER AG (DE) | 1986-07-09 | — | — | EP | disclosed |
| US-4331821-A | ULTRAVIOLET RADIATION OF A VAPORIZED ALKYLBENZEN AND HALOGEN GAS MIXTURE | BAYER AKTIENGESELLSCHAFT (DE) | 1982-05-25 | — | — | US | disclosed |
| EP-0009787-A2 | Process for the monohalogenation of alkylbenzenes in alpha position | BAYER AG (DE) | 1980-04-16 | — | — | EP | disclosed |