Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.38 |
| ▸ | FABP3 | P05413 | 4/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6907730 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TRPV1TRPM8MAPTKDM4E | |
| SCHEMBL6929123 | 0.81 | ALDH1A1 (0.52) | ALDH1A1TRPV1MAPT | |
| SCHEMBL6261486 | 0.81 | ALDH1A1 (0.52) | ALDH1A1TRPV1MAPT | |
| SCHEMBL8896820 | 0.81 | ALDH1A1 (0.52) | ALDH1A1TRPV1MAPT | |
| SCHEMBL6380368 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TRPV1MAPT | |
| SCHEMBL3317697 | 0.78 | ALDH1A1 (0.67) | ALDH1A1TRPV1MAPTKDM4ESOAT1 | |
| SCHEMBL7036873 | 0.78 | ALDH1A1 (0.61) | ALDH1A1TRPV1MAPTKDM4ESOAT1 | |
| SCHEMBL3319829 | 0.78 | FABP3 (0.54) | ALDH1A1TRPV1MAPTKDM4EFABP3 | |
| SCHEMBL4239573 | 0.78 | FABP3 (0.54) | ALDH1A1TRPV1MAPTKDM4EFABP3 | |
| SCHEMBL3319828 | 0.78 | FABP3 (0.54) | ALDH1A1TRPV1MAPTKDM4EFABP3 |
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-1218000-A4 | ANTI-CANCER NITRO- AND THIA-FATTY ACIDS | WOMENS & CHILDRENS HOSPITAL (AU) | 2003-07-09 | — | — | EP | disclosed |
| EP-1218000-A1 | ANTI-CANCER NITRO- AND THIA-FATTY ACIDS | WOMEN'S AND CHILDREN'S HOSPITAL (AU) | 2002-07-03 | — | — | EP | disclosed |
| WO-2001021172-A1 | ANTI-CANCER NITRO- AND THIA-FATTY ACIDS | WOMEN'S AND CHILDREN'S HOSPITAL ADELAIDE (AU) | 2001-03-29 | — | — | WO | disclosed |