Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.53 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.52 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.49 |
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL22995143 | 0.87 | ALDH1A1 (0.55) | ALDH1A1HTTSMN1; SMN2EPHX2MTNR1A | |
| SCHEMBL31036960 | 0.87 | ALDH1A1 (0.55) | ALDH1A1HTTSMN1; SMN2EPHX2MTNR1A | |
| SCHEMBL2938384 | 0.85 | NPC1 (0.56) | ALDH1A1HTTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL934348 | 0.85 | ALDH1A1 (0.76) | ALDH1A1HTTSMN1; SMN2EPHX2MTNR1A | |
| SCHEMBL13652543 | 0.83 | NPC1 (0.61) | ALDH1A1HTTPOLBHPGDNPC1 | |
| SCHEMBL934551 | 0.80 | GLS (0.61) | ALDH1A1HTTSMN1; SMN2EPHX2MTNR1A | |
| SCHEMBL13040220 | 0.78 | MTNR1A (0.53) | ALDH1A1HTTSMN1; SMN2EPHX2MTNR1A | |
| SCHEMBL255100 | 0.78 | DHFR (0.49) | ALDH1A1SMN1; SMN2NPC1RAB9AROCK2 | |
| SCHEMBL8304609 | 0.76 | MMP13 (0.57) | ALDH1A1HTTSMN1; SMN2POLBHPGD | |
| SCHEMBL934634 | 0.76 | CYP3A4 (0.53) | ALDH1A1HTTSMN1; SMN2MTNR1AMTNR1B |
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 |