Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | USP2 | O75604 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.61 |
| ▸ | POLB | P06746 | 3/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.59 |
| ▸ | MAPT | P10636 | 2/20 | 0.59 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.57 |
| ▸ | GLA | P06280 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | TGM2 | P21980 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL8407368 | 0.98 | ALDH1A1 (0.66) | ALDH1A1LMNAUSP2HPGDPOLB | |
| SCHEMBL11360223 | 0.98 | ALDH1A1 (0.66) | ALDH1A1LMNAUSP2HPGDPOLB | |
| SCHEMBL28570849 | 0.98 | ALDH1A1 (0.66) | ALDH1A1LMNAUSP2HPGDPOLB | |
| SCHEMBL14720666 | 0.98 | ALDH1A1 (0.66) | ALDH1A1LMNAUSP2HPGDPOLB | |
| SCHEMBL28394623 | 0.98 | ALDH1A1 (0.66) | ALDH1A1LMNAUSP2HPGDPOLB | |
| SCHEMBL25247976 | 0.98 | ALDH1A1 (0.66) | ALDH1A1LMNAUSP2HPGDPOLB | |
| SCHEMBL4453090 | 0.93 | ALDH1A1 (0.77) | ALDH1A1LMNAUSP2POLBHTT | |
| SCHEMBL3582934 | 0.86 | ALDH1A1 (0.68) | ALDH1A1LMNAUSP2POLBHTT | |
| SCHEMBL8577381 | 0.86 | ALDH1A1 (0.57) | ALDH1A1LMNAUSP2HPGDPOLB | |
| SCHEMBL3518475 | 0.85 | ALDH1A1 (0.67) | ALDH1A1LMNAUSP2HPGDPOLB |
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-1590359-A2 | PARTIAL AND FULL AGONISTS OF A sb 1 /sb ADENOSINE RECEPTORS | CV Therapeutics Inc. (US) | 2005-11-02 | — | — | EP | disclosed |
| WO-2004069185-A2 | PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS | CV THERAPEUTICS INC. (US) | 2004-08-19 | — | — | WO | disclosed |
| US-6531612-B2 | Pyrrolidine-2-carboxylic acid cyano-methyl amide derivatives useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis | HOFFMAN-LA ROCHE INC. | 2003-03-11 | — | — | US | disclosed |