Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | RORC | P51449 | 2/20 | 0.37 |
| ▸ | MME | P08473 | 2/20 | 0.37 |
| ▸ | ACE | P12821 | 2/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | GHSR | Q92847 | 1/20 | 0.37 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL11671280 | 0.93 | S1PR1 (0.42) | S1PR1MAPTNPC1GHSRGAA | |
| SCHEMBL11698854 | 0.91 | S1PR1 (0.40) | S1PR1MAPTNPC1RORCGHSR | |
| SCHEMBL11670901 | 0.89 | MAOB (0.39) | S1PR1MAPTGHSR | |
| SCHEMBL11671324 | 0.89 | BCL2A1 (0.46) | S1PR1MAPTNPC1RAB9AGAA | |
| SCHEMBL11672314 | 0.89 | S1PR1 (0.41) | S1PR1MAPTNPC1RAB9ARORC | |
| SCHEMBL11702436 | 0.89 | MAPT (0.44) | MAPTNPC1RAB9ACYP1A2GAA | |
| SCHEMBL11670216 | 0.88 | BCL2A1 (0.40) | S1PR1MAPTNPC1RAB9ARORC | |
| SCHEMBL11672045 | 0.88 | PPARG (0.42) | MAPTNPC1RAB9ACYP1A2GAA | |
| SCHEMBL11670883 | 0.88 | GHSR (0.41) | S1PR1MAPTNPC1GHSRGAA | |
| SCHEMBL11672792 | 0.87 | MTNR1B (0.48) | FFAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4039526-A | PRINTING, POLYACRYLONITRILE, POLYESTERS, POLYAMIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-02 | — | — | US | disclosed |
| US-4039539-A | 1,2,4-Triazole-azo-aniline cationic dyestuffs | BAYER AKTIENGESELLSCHAFT (DT) | 1977-08-02 | — | — | US | disclosed |