Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | C1S | P09871 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | TPMT | P51580 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.30 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6553381 | 1.00 | PRSS1 (0.43) | PRSS1PRSS2C1SPRSS3TPMT | |
| SCHEMBL10951122 | 0.77 | ALDH1A1 (0.41) | ALDH1A1HPGDGAAMAPTKMT2A | |
| SCHEMBL10951124 | 0.77 | ALDH1A1 (0.41) | ALDH1A1HPGDGAAMAPTKMT2A | |
| SCHEMBL18143941 | 0.76 | TPMT (0.38) | TPMTTSHR | |
| SCHEMBL6495140 | 0.76 | IDO1 (0.30) | — | |
| SCHEMBL18143944 | 0.76 | TPMT (0.38) | TPMTTSHR | |
| SCHEMBL6495133 | 0.76 | IDO1 (0.30) | — | |
| SCHEMBL6495142 | 0.76 | IDO1 (0.30) | — | |
| SCHEMBL18144198 | 0.76 | TPMT (0.38) | TPMTTSHR | |
| SCHEMBL28185318 | 0.75 | TPMT (0.46) | PRSS1PRSS2C1SPRSS3TPMT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1149067-B1 | 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS | HOFFMANN LA ROCHE (CH) | 2004-02-25 | — | — | EP | disclosed |
| EP-1149067-A1 | 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2001-10-31 | — | — | EP | disclosed |
| US-6310247-B1 | HAS APOPTOTIC ACTIVITY USEFUL FOR PROPHYLAXIS AND THERAPY OF CANCER | HOFFMANN-LA ROCHE INC. | 2001-10-30 | — | — | US | disclosed |
| WO-2000035856-A1 | 7-ARYL-6(Z)HEPTATRIENOIC ACID RETINAMIDES AS APOPTOSIS INDUCING COMPOUNDS AND THEIR USE AS ANTI-CANCER AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2000-06-22 | — | — | WO | disclosed |