Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | RARB | P10826 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TAS1R3 | Q7RTX0 | 6/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 6/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 4/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.37 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.37 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.37 |
| ▸ | TUBB | P07437 | 1/20 | 0.37 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12813035 | 0.88 | HTT (0.49) | RARBCYP1A2CYP3A4CYP2C9TSHR | |
| SCHEMBL12813501 | 0.85 | HTT (0.45) | RARBCYP1A2ALDH1A1LMNAHTT | |
| SCHEMBL12813432 | 0.80 | CES2 (0.48) | TSHRALDH1A1L3MBTL1GAA | |
| SCHEMBL12813534 | 0.79 | MEN1 (0.41) | RARBRXRARXRBRXRGRARA | |
| SCHEMBL12813347 | 0.78 | ALDH1A1 (0.47) | RARBCYP1A2CYP2C19ALDH1A1LMNA | |
| SCHEMBL12813339 | 0.77 | RARB (0.42) | RARBCYP1A2TAS1R3TAS1R1RXRA | |
| SCHEMBL16499346 | 0.77 | EPHX2 (0.40) | RARBLMNAHTTRXRARARA | |
| SCHEMBL12813449 | 0.75 | RARB (0.41) | RARBCYP1A2TSHRALDH1A1LMNA | |
| SCHEMBL12813381 | 0.75 | RARB (0.41) | RARBCYP1A2RXRARARARARG | |
| SCHEMBL11577171 | 0.75 | CYP1A2 (0.70) | ALOX15CYP1A2CYP3A4CYP2C9TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012134971-A2 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | BIKAM PHARMACEUTICALS, INC. (US) | 2012-10-04 | — | — | WO | disclosed |
| WO-2011155983-A1 | OPSIN-BINDING LIGANDS, COMPOSITIONS AND METHODS OF USE | BIKAM PHARMACEUTICALS INC. (US) | 2011-12-15 | — | — | WO | disclosed |