Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | DCAF1 | Q9Y4B6 | 1/20 | 0.39 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6668894 | 0.96 | HTT (0.47) | ALDH1A1HTTMAPTLMNAGAA | |
| Hydrochloric Acid SCHEMBL7170943 | 0.95 | HTT (0.46) | ALDH1A1HTTMAPTLMNAGAA | |
| SCHEMBL18404686 | 0.87 | POLB (0.43) | ALDH1A1HTTMAPTLMNAMEN1 | |
| SCHEMBL2335078 | 0.86 | ALDH1A1 (0.50) | ALDH1A1HTTMAPTLMNAGAA | |
| SCHEMBL2339306 | 0.86 | ALDH1A1 (0.50) | ALDH1A1HTTMAPTLMNAGAA | |
| SCHEMBL6670155 | 0.86 | ALDH1A1 (0.41) | ALDH1A1HTTMAPTLMNAGAA | |
| SCHEMBL6671080 | 0.86 | ALDH1A1 (0.39) | ALDH1A1HTTMAPTMEN1KMT2A | |
| SCHEMBL24036553 | 0.85 | THRB (0.47) | ALDH1A1MEN1KMT2APOLB | |
| Hydrochloric Acid SCHEMBL7176205 | 0.85 | ALDH1A1 (0.38) | ALDH1A1HTTMAPTMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL7171178 | 0.85 | ALDH1A1 (0.40) | ALDH1A1HTTMAPTLMNAGAA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2534138-B1 | 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS | UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) | 2017-01-25 | — | — | EP | disclosed |