Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.45 |
| ▸ | CAPN2 | P17655 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | ABCC3 | O15438 | 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 | |
|---|---|---|---|---|
| SCHEMBL29580045 | 0.92 | KMT2A (0.55) | HRH4ALDH1A1KMT2AMEN1HPGD | |
| SCHEMBL21342932 | 0.89 | KMT2A (0.57) | HRH4ALDH1A1KMT2AMEN1HPGD | |
| SCHEMBL9037992 | 0.87 | CTSK (0.50) | HRH4ALDH1A1KMT2AMEN1HPGD | |
| SCHEMBL5556116 | 0.86 | HRH4 (0.53) | HRH4ALDH1A1KMT2AMEN1HPGD | |
| SCHEMBL10448521 | 0.86 | MEN1 (0.49) | HRH4ALDH1A1KMT2AMEN1HPGD | |
| SCHEMBL7395007 | 0.85 | HRH4 (0.52) | HRH4ALDH1A1KMT2AMEN1HPGD | |
| SCHEMBL7387364 | 0.85 | HRH4 (0.57) | HRH4ALDH1A1KMT2AMEN1HPGD | |
| Hydrochloric Acid SCHEMBL11683872 | 0.84 | CYP1A2 (0.57) | ALDH1A1KMT2AMEN1LTA4HSLC15A1 | |
| Hydrochloric Acid SCHEMBL5492506 | 0.84 | HRH4 (0.56) | HRH4ALDH1A1KMT2AMEN1HPGD | |
| Hydrochloric Acid SCHEMBL5492509 | 0.84 | HRH4 (0.56) | HRH4ALDH1A1KMT2AMEN1HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5430024-A | Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation | HOFFMANN-LA ROCHE INC. (US) | 1995-07-04 | — | — | US | disclosed |
| US-5273982-A | An amidinoaryleneamidoalkylpiperazinyleneacetic acid | HOFFMANN-LA ROCHE INC. (US) | 1993-12-28 | — | — | US | disclosed |