Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | F12 | P00748 | 1/20 | 0.37 |
| ▸ | RXRA | P19793 | 1/20 | 0.37 |
| ▸ | RXRB | P28702 | 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 | |
|---|---|---|---|---|
| SCHEMBL8034537 | 0.78 | CYP1A2 (0.49) | ALDH1A1MEN1THRBRECQLKMT2A | |
| SCHEMBL12813465 | 0.76 | RARB (0.43) | ALDH1A1CYP1A2RXRARXRBRXRG | |
| SCHEMBL12813429 | 0.74 | GAA (0.40) | ALDH1A1POLBMEN1APEX1RECQL | |
| SCHEMBL12813433 | 0.74 | HTT (0.40) | ALDH1A1CYP1A2SMN1; SMN2LMNARXRA | |
| SCHEMBL12813347 | 0.73 | ALDH1A1 (0.47) | ALDH1A1CES2CES1CYP1A2SMN1; SMN2 | |
| SCHEMBL12813375 | 0.72 | CES2 (0.44) | ALDH1A1POLBMEN1KMT2ACES2 | |
| SCHEMBL20440798 | 0.72 | AKR1B1 (0.42) | MEN1KMT2ACES2CES1CYP1A2 | |
| SCHEMBL12813293 | 0.71 | RARB (0.41) | ALDH1A1POLBMEN1KMT2ACYP1A2 | |
| SCHEMBL12813449 | 0.71 | RARB (0.41) | ALDH1A1TDP1CES2CES1CYP1A2 | |
| SCHEMBL12813381 | 0.71 | RARB (0.41) | TDP1CES2CES1CYP1A2RXRA |
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 |