Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27306803 | 0.90 | ALDH1A1 (0.49) | ALDH1A1KMT2AMEN1NPSR1LMNA | |
| SCHEMBL10642077 | 0.87 | SLC6A2 (0.49) | ALDH1A1KMT2AMEN1NPSR1LMNA | |
| SCHEMBL7343776 | 0.87 | ALDH1A1 (0.52) | ALDH1A1KMT2AMEN1NPSR1LMNA | |
| SCHEMBL7340543 | 0.85 | ALDH1A1 (0.55) | ALDH1A1KMT2AMEN1NPSR1LMNA | |
| SCHEMBL11118368 | 0.84 | KMT2A (0.46) | ALDH1A1KMT2AMEN1NPSR1LMNA | |
| SCHEMBL8475131 | 0.82 | FKBP1A (0.43) | ALDH1A1KMT2AMEN1LMNACYP3A4 | |
| SCHEMBL8120754 | 0.82 | FKBP1A (0.43) | ALDH1A1KMT2AMEN1LMNACYP3A4 | |
| SCHEMBL11063207 | 0.81 | ALDH1A1 (0.50) | ALDH1A1KMT2AMEN1NPSR1LMNA | |
| SCHEMBL10639232 | 0.81 | SLC6A3 (0.49) | ALDH1A1LMNAL3MBTL1SLC6A2SLC6A3 | |
| SCHEMBL10640779 | 0.81 | NTSR1 (0.47) | ALDH1A1KMT2AMEN1NPSR1LMNA |
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 |