Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.66 |
| ▸ | IDO1 | P14902 | 2/20 | 0.50 |
| ▸ | AGXT | P21549 | 2/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL933480 | 0.88 | TAAR1 (0.49) | TAAR1ALDH1A1SMN1; SMN2 | |
| SCHEMBL12191881 | 0.86 | TAAR1 (0.63) | TAAR1CYP1A2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL5740450 | 0.86 | TAAR1 (0.63) | TAAR1CYP1A2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL12191887 | 0.86 | TAAR1 (0.63) | TAAR1CYP1A2ALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL8802456 | 0.84 | TAAR1 (0.61) | TAAR1ALDH1A1HTTSMN1; SMN2MMP13 | |
| SCHEMBL14672754 | 0.83 | KMT2A (0.42) | TAAR1ALDH1A1MEN1KMT2A | |
| SCHEMBL934550 | 0.82 | EPHX1 (0.56) | TAAR1 | |
| SCHEMBL28244452 | 0.82 | TAAR1 (0.62) | TAAR1IDO1AGXTPARP1CYP1A2 | |
| SCHEMBL933857 | 0.80 | LDHA (0.61) | PARP1CYP1A2ALDH1A1HTT | |
| (S)-M-Methoxyamphetamine SCHEMBL3293027 | 0.80 | TAAR1 (1.00) | TAAR1IDO1AGXT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011006935-A2 | TETRAZOLE DERIVATIVES | MERCK SERONO S.A. (CH) | 2011-01-20 | — | — | WO | disclosed |