Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.40 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.37 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.37 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.37 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11206268 | 0.85 | DDB1 (0.47) | ALDH1A1MAPK1CRBNMAOAMAOB | |
| SCHEMBL11099324 | 0.77 | SRD5A1 (0.38) | ALDH1A1GAASMN1; SMN2KDM4EMAPT | |
| SCHEMBL11093631 | 0.74 | ALDH1A1 (0.42) | ALDH1A1RAB9AGAASMN1; SMN2 | |
| SCHEMBL11615819 | 0.73 | NQO1 (0.45) | ALDH1A1MAOAMAOBRAB9AGAA | |
| SCHEMBL10451252 | 0.68 | MAPK1 (0.45) | ALDH1A1MAPK1CRBNSHMT2LMNA | |
| SCHEMBL10451254 | 0.68 | MAPK1 (0.45) | ALDH1A1MAPK1CRBNSHMT2LMNA | |
| SCHEMBL10451255 | 0.68 | MAPK1 (0.45) | ALDH1A1MAPK1CRBNSHMT2LMNA | |
| SCHEMBL7532311 | 0.68 | PDE4B (0.40) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL27219488 | 0.68 | L3MBTL1 (0.42) | ALDH1A1LMNAGAASMN1; SMN2KDM4E | |
| SCHEMBL24491305 | 0.67 | CRBN (0.82) | ALDH1A1MAPK1CRBNLMNANPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1014973-A4 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2000-09-20 | — | — | EP | disclosed |
| EP-1014973-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2000-07-05 | — | — | EP | disclosed |
| US-6057350-A | Alpha 1a adrenergic receptor antagonists | MERCK & CO., INC. (US) | 2000-05-02 | — | — | US | disclosed |
| WO-1998057632-A1 | ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1998-12-23 | — | — | WO | disclosed |