Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.33 |
| ▸ | EPAS1 | Q99814 | 4/20 | 0.33 |
| ▸ | LOX | P28300 | 1/20 | 0.32 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.32 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6470309 | 0.94 | TSHR (0.45) | TSHRALDH1A1TDP1MAPTLOX | |
| SCHEMBL11071480 | 0.92 | ALDH1A1 (0.43) | TSHRALDH1A1TDP1MAPTHIF1A | |
| SCHEMBL29154624 | 0.88 | ALDH1A1 (0.46) | TSHRALDH1A1TDP1MAPTLOX | |
| SCHEMBL14110162 | 0.83 | TSHR (0.56) | TSHRCYP3A4 | |
| SCHEMBL10486650 | 0.81 | — | — | |
| SCHEMBL8011581 | 0.80 | — | — | |
| SCHEMBL8723146 | 0.80 | — | — | |
| SCHEMBL59340 | 0.77 | — | — | |
| SCHEMBL30678315 | 0.77 | — | — | |
| SCHEMBL6000672 | 0.77 | ALDH1A1 (0.64) | TSHRALDH1A1TDP1MAPTHIF1A |
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 |
|---|---|---|---|---|---|---|---|
| US-5811422-A | USEFUL FOR TREATING VIRAL INFECTIONS | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-09-22 | — | — | US | disclosed |
| US-5610294-A | VIRAL TREATMENT | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-03-11 | — | — | US | disclosed |
| EP-0686151-A1 | SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-12-13 | — | — | EP | disclosed |