Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | QDPR | P09417 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 4/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CPS1 | P31327 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL9411509 | 0.98 | ALDH1A1 (0.42) | ALDH1A1CYP3A4HPGDMAPK1NPC1 | |
| SCHEMBL9411376 | 0.87 | HPGD (0.48) | ALDH1A1CYP3A4HPGDMAPK1NPC1 | |
| SCHEMBL9411502 | 0.87 | TP53 (0.41) | NPC1RAB9AQDPRMTNR1BKMT2A | |
| SCHEMBL9411362 | 0.80 | MAPT (0.42) | ALDH1A1HPGDQDPRKMT2AACHE | |
| SCHEMBL9411506 | 0.78 | HTR4 (0.44) | NPC1RAB9AMTNR1BKMT2AACHE | |
| Acetic Acid SCHEMBL9411324 | 0.78 | MAPT (0.43) | ALDH1A1HPGDQDPRKMT2AACHE | |
| SCHEMBL9411461 | 0.77 | KMT2A (0.47) | ALDH1A1CYP3A4MAPK1NPC1RAB9A | |
| Acetic Acid SCHEMBL9411399 | 0.77 | KMT2A (0.47) | ALDH1A1CYP3A4MAPK1NPC1RAB9A | |
| SCHEMBL9411316 | 0.76 | ALDH1A1 (0.41) | ALDH1A1QDPRKMT2AACHECYP2C19 | |
| SCHEMBL10634871 | 0.76 | CPS1 (0.60) | ALDH1A1CYP3A4HPGDMAPK1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0602242-A1 | BENZISOXAZOLE COMPOUND AND USE THEREOF | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1994-06-22 | — | — | EP | disclosed |