Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | NT5E | P21589 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | SUMO2 | P61956 | 1/20 | 0.37 |
| ▸ | SUMO1 | P63165 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP2 | Q9HC62 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | PHLPP2 | Q6ZVD8 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| 3-Chloroaniline SCHEMBL11685285 | 0.84 | ALDH1A1 (0.49) | CYP2D6POLBTSHRALDH1A1NT5E | |
| Aniline SCHEMBL11682873 | 0.83 | TSHR (0.56) | CYP2D6POLBTSHRALDH1A1NT5E | |
| O-Tolylamine SCHEMBL11687186 | 0.82 | CYP2D6 (0.45) | CYP2D6POLBTSHRALDH1A1NT5E | |
| Aniline SCHEMBL11711110 | 0.80 | TSHR (0.82) | CYP2D6POLBTSHRALDH1A1NT5E | |
| Aniline SCHEMBL11685961 | 0.80 | PRSS1 (0.37) | CYP2D6POLBTSHRALDH1A1HSD17B10 | |
| SCHEMBL11682708 | 0.79 | POLB (0.42) | CYP2D6POLBTSHRALDH1A1NT5E | |
| SCHEMBL11682722 | 0.79 | PTGS1 (0.47) | CYP2D6POLBTSHRALDH1A1NT5E | |
| Aniline SCHEMBL1365012 | 0.78 | TSHR (0.76) | CYP2D6POLBTSHRALDH1A1NT5E | |
| Aniline SCHEMBL11683885 | 0.77 | ALDH1A1 (0.44) | CYP2D6POLBTSHRALDH1A1NT5E | |
| Benzene SCHEMBL27671391 | 0.76 | TSHR (0.90) | CYP2D6POLBTSHRALDH1A1NT5E |
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 |
|---|---|---|---|---|---|---|---|
| US-4055557-A | MONOAZO DYES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-10-25 | — | — | US | disclosed |