Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | RECQL | P46063 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ENPEP | Q07075 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8421523 | 0.86 | KMT2A (0.39) | ALDH1A1RECQLKMT2AMEN1PKM | |
| SCHEMBL9503704 | 0.85 | KMT2A (0.64) | ALDH1A1RECQLKMT2APKMCYP3A4 | |
| SCHEMBL8526626 | 0.82 | ALDH1A1 (0.49) | ALDH1A1KMT2AMEN1CYP2C19SMN1; SMN2 | |
| SCHEMBL8954953 | 0.82 | FOLH1 (0.43) | KMT2APKMADORA1LMNA | |
| SCHEMBL8426514 | 0.81 | ALDH1A1 (0.46) | ALDH1A1RECQLKMT2AMEN1CYP2C9 | |
| SCHEMBL8423454 | 0.80 | LMNA (0.40) | ALDH1A1KMT2AMEN1PKMSMN1; SMN2 | |
| SCHEMBL8422033 | 0.79 | LMNA (0.44) | KMT2AMEN1PKMTSHRLMNA | |
| SCHEMBL28168069 | 0.78 | ALDH1A1 (0.67) | ALDH1A1RECQLCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL1196133 | 0.76 | TSHR (0.45) | ALDH1A1KMT2AMEN1PKMSMN1; SMN2 | |
| SCHEMBL6512076 | 0.74 | KMT2A (0.44) | ALDH1A1KMT2AMEN1CYP3A4SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0705257-B1 | AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS | WELLCOME FOUND (GB) | 1998-03-11 | — | — | EP | disclosed |
| EP-0705257-A1 | AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-04-10 | — | — | EP | disclosed |
| WO-1995000505-A1 | AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-01-05 | — | — | WO | disclosed |