Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | AGXT | P21549 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10051635 | 0.86 | TAAR1 (0.40) | IDO1CYP2A6TAAR1CA2ALDH1A1 | |
| SCHEMBL27579738 | 0.84 | LOXL2 (0.43) | CYP1A2ALDH1A1MAPTLMNATDP1 | |
| SCHEMBL28012127 | 0.82 | IDO1 (0.40) | IDO1CYP1A2TAAR1AGXTALDH1A1 | |
| SCHEMBL27557933 | 0.82 | TAAR1 (0.38) | IDO1TAAR1MEN1KMT2AMAPT | |
| SCHEMBL5002488 | 0.82 | CYP3A4 (0.36) | IDO1CYP1A2 | |
| SCHEMBL8814962 | 0.82 | ESR1 (0.40) | IDO1TAAR1CA1CA2CA9 | |
| SCHEMBL563886 | 0.82 | TP53 (0.41) | IDO1CYP2A6TAAR1ALDH1A1TP53 | |
| SCHEMBL11609893 | 0.81 | IDO1 (0.48) | IDO1TAAR1AGXTCA1CA2 | |
| SCHEMBL29282941 | 0.81 | CYP1A2 (0.45) | IDO1CYP1A2CYP2A6TAAR1AGXT | |
| SCHEMBL11657265 | 0.79 | LMNA (0.57) | CYP1A2CA1CA2CA9MEN1 |
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-1620108-B1 | PYRAZOLE-AMINE COMPOUNDS USEFUL AS KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-06-06 | — | — | EP | disclosed |
| EP-1842868-A1 | PROCESS FOR PRODUCING POLYESTER, POLYESTER PRODUCED USING SAID PROCESS, AND POLYESTER MOLDED PRODUCT | Toyo Boseki Kabushiki Kasisha (JP) | 2007-10-10 | — | — | EP | disclosed |