Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 4/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 2/20 | 0.37 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.37 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.37 |
| ▸ | PNMT | P11086 | 2/20 | 0.35 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL8665946 | 0.82 | TSHR (0.41) | TSHRPDK2PDK1PDK3PDK4 | |
| SCHEMBL9340578 | 0.80 | CYP3A4 (0.36) | TSHRNOTUMCYP3A4 | |
| SCHEMBL312929 | 0.79 | P2RX7 (0.52) | TSHRPDK2PNMTP2RX7NOTUM | |
| SCHEMBL29764291 | 0.79 | P2RX7 (0.52) | TSHRPDK2PNMTP2RX7NOTUM | |
| SCHEMBL2262591 | 0.79 | TSHR (0.46) | TSHRPNMTCYP1A2CYP2A6CYP3A4 | |
| SCHEMBL29509453 | 0.77 | PDK2 (0.46) | TSHRPDK2PDK1PDK3PDK4 | |
| SCHEMBL9770062 | 0.77 | TSHR (0.37) | TSHRPDK2PDK1PDK3PDK4 | |
| SCHEMBL48346 | 0.72 | KCNN4 (0.46) | TSHRPNMTCYP1A2CYP2A6CYP3A4 | |
| Hydrochloric Acid SCHEMBL11231148 | 0.71 | TSHR (0.39) | TSHRPNMTCYP1A2CYP2A6CYP3A4 | |
| SCHEMBL78891 | 0.70 | CA2 (0.48) | TSHRPDK2PDK1PDK3PDK4 |
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-5041683-A | Nuclear-fluorinated trifluoromethylbenzaldehydes | BAYER AKTIENGESELLSCHAFT (DE) | 1991-08-20 | — | — | US | disclosed |