Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | TAS1R3 | Q7RTX0 | 12/20 | 0.37 |
| ▸ | TAS1R1 | Q7RTX1 | 11/20 | 0.37 |
| ▸ | TAS1R2 | Q8TE23 | 11/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18674532 | 0.83 | TAS1R3 (0.41) | CYP3A4TAS1R3TAS1R1TAS1R2CYP1A2 | |
| SCHEMBL6784332 | 0.82 | LDHA (0.38) | CYP3A4TAS1R3TAS1R1TAS1R2KMT2A | |
| SCHEMBL9377547 | 0.81 | ESR1 (0.41) | CYP3A4KMT2ATHRBMEN1HPGD | |
| SCHEMBL13125484 | 0.81 | TAS1R3 (0.44) | CYP3A4TAS1R3TAS1R1TAS1R2CYP1A2 | |
| SCHEMBL6727338 | 0.80 | TAS1R3 (0.47) | CYP3A4TAS1R3TAS1R1TAS1R2CYP1A2 | |
| SCHEMBL9040401 | 0.75 | ESR1 (0.44) | CYP3A4CYP1A2KMT2ATHRBMEN1 | |
| SCHEMBL9633943 | 0.75 | CYP3A4 (0.39) | CYP3A4TAS1R3TAS1R1TAS1R2CYP1A2 | |
| SCHEMBL172036 | 0.74 | TAS1R3 (0.33) | TAS1R3TAS1R1TAS1R2ESR1 | |
| SCHEMBL9608357 | 0.73 | TAS1R3 (0.41) | CYP3A4TAS1R3TAS1R1TAS1R2CYP1A2 | |
| Acetic Acid SCHEMBL28397037 | 0.72 | FFAR3 (0.47) | TAS1R3TAS1R1TAS1R2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4442115-A | ANTI-ASTHMA | MAY & BAKER LIMITED (GB) | 1984-04-10 | — | — | US | disclosed |