Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | KIF11 | P52732 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 2/20 | 0.30 |
| ▸ | PRKDC | P78527 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL18419783 | 0.77 | CA2 (0.36) | CA2TSHRALDH1A1TDP1GABRA1 | |
| SCHEMBL24000896 | 0.77 | CA2 (0.36) | CA2TSHRALDH1A1TDP1CYP1A2 | |
| SCHEMBL1194484 | 0.74 | ALDH1A1 (0.55) | CA2TSHRALDH1A1TDP1CYP1A2 | |
| Phosphine SCHEMBL2238711 | 0.72 | ALDH1A1 (0.52) | CA2TSHRALDH1A1TDP1CYP1A2 | |
| SCHEMBL545684 | 0.72 | ALDH1A1 (0.52) | CA2TSHRALDH1A1TDP1CYP1A2 | |
| SCHEMBL24620116 | 0.72 | TSHR (0.55) | CA2TSHRALDH1A1TDP1CYP1A2 | |
| SCHEMBL27809376 | 0.70 | CA2 (0.52) | CA2TSHRALDH1A1TDP1CYP1A2 | |
| SCHEMBL11020611 | 0.70 | ALDH1A1 (0.50) | CA2TSHRALDH1A1TDP1CYP1A2 | |
| SCHEMBL8731742 | 0.69 | TSHR (0.52) | TSHRGABRA1GABRB2RORC | |
| SCHEMBL11513127 | 0.68 | TRPA1 (0.34) | TSHRALDH1A1CYP1A2CYP3A4CYP2C9 |
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-4177156-A | SPECIALTY OILS FOR TRANSFORMERS | RHONE-POULENC INDUSTRIES (FR) | 1979-12-04 | — | — | US | disclosed |
| US-4119555-A | COOLANTS FOR TRANSFORMERS | RHONE-POULENC INDUSTRIES (FR) | 1978-10-10 | — | — | US | disclosed |