Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 12/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.47 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.47 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.46 |
| ▸ | HSPB1 | P04792 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9409446 | 0.86 | MEN1 (0.55) | ROCK2ROCK1MEN1NPC1RAB9A | |
| SCHEMBL9233873 | 0.78 | HPGD (0.42) | MEN1NPC1RAB9AKMT2ASMN1; SMN2 | |
| SCHEMBL9233868 | 0.78 | HPGD (0.42) | MEN1NPC1RAB9AKMT2ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL9234972 | 0.78 | ITGB3 (0.46) | MEN1KMT2AMAPK14SMYD3CYP2C9 | |
| SCHEMBL9409367 | 0.77 | ALDH1A1 (0.46) | MAPK14SMYD3CYP2C9 | |
| SCHEMBL9415854 | 0.77 | ALDH1A1 (0.46) | MAPK14SMYD3CYP2C9 | |
| Hydrochloric Acid SCHEMBL9409523 | 0.76 | ALDH1A1 (0.46) | MAPK14SMYD3CYP2C9 | |
| Hydrochloric Acid SCHEMBL9409352 | 0.76 | ALDH1A1 (0.46) | MAPK14SMYD3CYP2C9 | |
| Hydrochloric Acid SCHEMBL9409464 | 0.76 | SMYD3 (0.44) | MAPK14SMYD3CYP2C9 | |
| SCHEMBL9409398 | 0.76 | HTR2A (0.52) | — |
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-0604800-A1 | 4- 4- 4-(carboxyalkyl)-phenyl amino carbonyl -phenyl -piperedines as aggregation inhibitors | Dr. Karl Thomae GmbH (DE) | 1994-07-06 | — | — | EP | disclosed |