Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL15560825 | 0.98 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2MEN1HPGDKMT2A | |
| SCHEMBL15555273 | 0.92 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2MEN1HPGDKMT2A | |
| SCHEMBL15560495 | 0.91 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2MEN1HPGDKMT2A | |
| SCHEMBL15554970 | 0.89 | L3MBTL1 (0.43) | ALDH1A1SMN1; SMN2MEN1HPGDKMT2A | |
| SCHEMBL15554204 | 0.89 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2MEN1HPGDKMT2A | |
| SCHEMBL15555844 | 0.89 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2MEN1HPGDKMT2A | |
| SCHEMBL15554738 | 0.88 | CYP19A1 (0.40) | ALDH1A1SMN1; SMN2MEN1HPGDKMT2A | |
| SCHEMBL15555422 | 0.88 | CYP19A1 (0.40) | ALDH1A1SMN1; SMN2MEN1HPGDKMT2A | |
| SCHEMBL15553907 | 0.88 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2MEN1HPGDKMT2A | |
| SCHEMBL15555818 | 0.84 | CYP19A1 (0.43) | ALDH1A1SMN1; SMN2MEN1HPGDKMT2A |
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-2014002109-A1 | SUBSTITUTED TETRAZOLE COMPOUNDS AND PROCESS THEREOF | RALLIS INDIA LIMITED (IN) | 2014-01-03 | — | — | WO | disclosed |