Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | KYNU | Q16719 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 3/20 | 0.46 |
| ▸ | CTSK | P43235 | 3/20 | 0.46 |
| ▸ | CTSS | P25774 | 2/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.45 |
| ▸ | TACR1 | P25103 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19924783 | 1.00 | ALDH1A1 (0.53) | ALDH1A1ALOX15KYNUCTSLCTSK | |
| SCHEMBL19924764 | 0.91 | ITGB3 (0.47) | ALDH1A1ALOX15CTSLCTSKCTSS | |
| SCHEMBL19924765 | 0.91 | ITGB3 (0.47) | ALDH1A1ALOX15CTSLCTSKCTSS | |
| SCHEMBL5189563 | 0.84 | ALDH1A1 (0.54) | ALDH1A1ALOX15KYNUCTSLCTSK | |
| SCHEMBL19924836 | 0.84 | KLK5 (0.45) | CTSLCTSKCTSSCTSBTACR1 | |
| SCHEMBL4448480 | 0.81 | ALDH1A1 (0.53) | ALDH1A1ALOX15KYNUCTSLCTSK | |
| SCHEMBL7151822 | 0.79 | ALDH1A1 (0.74) | ALDH1A1ALOX15KYNUCTSLCTSK | |
| SCHEMBL329686 | 0.79 | ALDH1A1 (0.74) | ALDH1A1ALOX15KYNUCTSLCTSK | |
| SCHEMBL29401219 | 0.78 | ALDH1A1 (0.54) | ALDH1A1ALOX15KYNUCTSLCTSK | |
| Hydrochloric Acid SCHEMBL7928050 | 0.78 | ALDH1A1 (0.72) | ALDH1A1ALOX15KYNUCTSLCTSK |
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-2018042343-A2 | COMPOUNDS THAT INHIBIT 3C AND 3CL PROTEASES AND METHODS OF USE THEREOF | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2018-03-08 | — | — | WO | disclosed |