Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.58 |
| ▸ | GNPAT | O15228 | 2/20 | 0.53 |
| ▸ | CPB2 | Q96IY4 | 7/20 | 0.49 |
| ▸ | FURIN | P09958 | 1/20 | 0.49 |
| ▸ | PCSK6 | P29122 | 1/20 | 0.49 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.49 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.49 |
| ▸ | FOLH1 | Q04609 | 5/20 | 0.49 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.46 |
| ▸ | ERAP1 | Q9NZ08 | 1/20 | 0.46 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.46 |
| ▸ | CPA1 | P15085 | 1/20 | 0.45 |
| ▸ | CPA2 | P48052 | 1/20 | 0.45 |
| ▸ | CPA4 | Q9UI42 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL30444043 | 1.00 | ALDH1A1 (0.58) | ALDH1A1GNPATCPB2FURINPCSK6 | |
| SCHEMBL29396725 | 0.90 | GNPAT (0.60) | ALDH1A1GNPATCPB2SIRT6SIRT1 | |
| SCHEMBL29394494 | 0.90 | GNPAT (0.60) | ALDH1A1GNPATCPB2SIRT6SIRT1 | |
| SCHEMBL29396098 | 0.90 | GNPAT (0.60) | ALDH1A1GNPATCPB2SIRT6SIRT1 | |
| SCHEMBL1711525 | 0.89 | CPB2 (0.49) | ALDH1A1CPB2FOLH1ERAP2ERAP1 | |
| SCHEMBL8006925 | 0.89 | CPB2 (0.49) | ALDH1A1CPB2FURINPCSK6FOLH1 | |
| SCHEMBL20951745 | 0.89 | FURIN (0.52) | ALDH1A1GNPATFURINPCSK6SIRT6 | |
| SCHEMBL20951744 | 0.89 | FURIN (0.52) | ALDH1A1GNPATFURINPCSK6SIRT6 | |
| SCHEMBL1711530 | 0.89 | CPB2 (0.49) | ALDH1A1CPB2FOLH1ERAP2ERAP1 | |
| SCHEMBL1711292 | 0.89 | CPB2 (0.49) | ALDH1A1CPB2FOLH1ERAP2ERAP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6610270-B1 | Determining the rate of substrate-product conversion for gateway enzymes important to therapy management, using labelled metaprobes | XANTHUS LIFE SCIENCES, INC. | 2003-08-26 | — | — | US | disclosed |
| EP-1089765-A2 | $i(IN VIVO) DETERMINATION OF METABOLIC FUNCTION FOR USE IN THERAPY MANAGEMENT | Phenome Sciences Inc. (US) | 2001-04-11 | — | — | EP | disclosed |
| WO-2000000636-A2 | IN VIVO DETERMINATION OF METABOLIC FUNCTION FOR USE IN THERAPY MANAGEMENT | PHENOME SCIENCES INC. (US) | 2000-01-06 | — | — | WO | disclosed |