Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7373587 | 1.00 | ALDH1A1 (0.48) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL8088689 | 1.00 | ALDH1A1 (0.48) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Hydrochloric Acid SCHEMBL7377200 | 0.98 | ALDH1A1 (0.47) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL5852973 | 0.94 | NAAA (0.47) | ALDH1A1HCAR2TSHRNOD1CYP3A4 | |
| SCHEMBL7371519 | 0.88 | SLC7A5 (0.41) | ALDH1A1HCAR2TSHRNOD1LMNA | |
| SCHEMBL8861392 | 0.88 | SLC7A5 (0.41) | ALDH1A1HCAR2TSHRNOD1LMNA | |
| SCHEMBL7818753 | 0.85 | ALDH1A1 (0.45) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL1923182 | 0.82 | ALDH1A1 (0.50) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL1923181 | 0.82 | ALDH1A1 (0.50) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL14242995 | 0.82 | ALDH1A1 (0.50) | ALDH1A1ATMHCAR2TSHRHPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-1051625-A1 | ASSESSING RISK FOR INTEGRIN ANTAGONIST/AGONIST MEDIATED DISEASES | Du Pont Pharmaceuticals Company (US) | 2000-11-15 | — | — | EP | disclosed |
| WO-1999038014-A1 | ASSESSING RISK FOR INTEGRIN ANTAGONIST/AGONIST MEDIATED DISEASES | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-07-29 | — | — | WO | disclosed |