Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | CASP1 | P29466 | 3/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | PRKCI | P41743 | 1/20 | 0.38 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL455280 | 0.98 | ALDH1A1 (0.54) | ALDH1A1CASP1TAAR1TSHRCYP3A4 | |
| SCHEMBL30084985 | 0.82 | TAAR1 (0.69) | ALDH1A1CASP1TAAR1TSHRCYP3A4 | |
| SCHEMBL2232910 | 0.81 | ALDH1A1 (0.56) | ALDH1A1CASP1TAAR1TSHRCYP3A4 | |
| SCHEMBL5953121 | 0.79 | ALDH1A1 (0.54) | ALDH1A1CASP1TAAR1TSHRCYP3A4 | |
| SCHEMBL5192354 | 0.79 | ALDH1A1 (0.54) | ALDH1A1CASP1TAAR1TSHRCYP3A4 | |
| SCHEMBL29468021 | 0.79 | ALDH1A1 (0.54) | ALDH1A1CASP1TAAR1TSHRCYP3A4 | |
| SCHEMBL10034977 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CASP1TAAR1TSHRCYP3A4 | |
| SCHEMBL792457 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CASP1TAAR1TSHRCYP3A4 | |
| Hydrochloric Acid SCHEMBL865049 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CASP1TAAR1TSHRCYP3A4 | |
| SCHEMBL14448167 | 0.77 | ALDH1A1 (0.52) | ALDH1A1CASP1TAAR1TSHRCYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0091054-B1 | 1-ALKYL-2-ISOCYANATOMETHYL-ISOCYANATO PHENYL AND/OR 1-ALKYL-4-ISOCYANATOMETHYL-ISOCYANATO PHENYL, METHOD FOR THEIR PREPARATION AND USE | BASF Aktiengesellschaft (DE) | 1985-10-02 | — | — | EP | claimed |
| EP-0091054-A1 | 1-Alkyl-2-isocyanatomethyl-isocyanato phenyl and/or 1-alkyl-4-isocyanatomethyl-isocyanato phenyl, method for their preparation and use | BASF Aktiengesellschaft (DE) | 1983-10-12 | — | — | EP | claimed |