Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.53 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.52 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.47 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.47 |
| ▸ | HTR1D | P28221 | 1/20 | 0.45 |
| ▸ | HTR1B | P28222 | 1/20 | 0.45 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | PANK3 | Q9H999 | 2/20 | 0.41 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | IDH1 | O75874 | 2/20 | 0.40 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.40 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.40 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.40 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL87339 | 0.87 | CYP2A6 (0.52) | LOXL2CYP2A6ALDH1A1PANK3GRIA1 | |
| SCHEMBL20373037 | 0.83 | LOXL2 (0.44) | LOXL2CYP2A6SAE1UBA2HRH3 | |
| SCHEMBL3956146 | 0.82 | IDO1 (0.56) | HTR1DHTR1BIDO1ALDH1A1PYCR1 | |
| SCHEMBL1344068 | 0.82 | LOXL2 (0.65) | LOXL2CYP2A6SAE1UBA2IDO1 | |
| SCHEMBL12263202 | 0.81 | MMP3 (0.52) | CYP2A6ALDH1A1PANK3GRIA1GRIA2 | |
| SCHEMBL27681566 | 0.80 | LOXL2 (0.48) | LOXL2CYP2A6SAE1UBA2IDO1 | |
| SCHEMBL1847770 | 0.79 | LOXL2 (0.53) | LOXL2CYP2A6CACNA1HALDH1A1PANK3 | |
| SCHEMBL31739252 | 0.77 | MAOA (0.61) | LOXL2CYP2A6SAE1UBA2HRH3 | |
| SCHEMBL14224119 | 0.77 | CYP3A4 (0.64) | LOXL2CYP2A6SAE1UBA2IDO1 | |
| SCHEMBL14346503 | 0.77 | CYP2A6 (0.73) | LOXL2CYP2A6SAE1UBA2IDO1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021156636-A1 | TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY | KING'S COLLEGE LONDON (GB) | 2021-08-12 | — | — | WO | disclosed |