Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL826990 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL25335680 | 0.76 | LMNA (0.53) | — | |
| SCHEMBL827474 | 0.72 | LTA4H (0.47) | CYP1A2 | |
| SCHEMBL11068214 | 0.71 | LMNA (0.57) | — | |
| SCHEMBL17138204 | 0.69 | TSHR (0.49) | — | |
| SCHEMBL14876788 | 0.69 | — | — | |
| SCHEMBL4397519 | 0.68 | NQO1 (0.41) | THRATHRB | |
| SCHEMBL18426854 | 0.68 | SCN4A (0.49) | CYP1A2THRB | |
| SCHEMBL16572200 | 0.68 | KDM4E (0.49) | — | |
| SCHEMBL10718066 | 0.68 | TDP1 (0.59) | — |
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-7338965-B2 | 3,4-disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines | PHARMACIA & UPJOHN COMPANY (US) | 2008-03-04 | — | — | US | disclosed |