Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | XIAP | P98170 | 1/20 | 0.40 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL699807 | 0.84 | TAAR1 (0.46) | ALDH1A1CYP1A2KDM4ECYP2D6XIAP | |
| Naphthalene SCHEMBL699808 | 0.84 | TAAR1 (0.46) | ALDH1A1CYP1A2KDM4ECYP2D6XIAP | |
| Alanine SCHEMBL28922813 | 0.79 | ELANE (0.42) | ALDH1A1CYP1A2KDM4EMAPTXIAP | |
| Pyrene SCHEMBL6033008 | 0.79 | ALDH1A1 (0.61) | KMT2AMEN1ALDH1A1HSD17B10HPGD | |
| Anthracene SCHEMBL29064584 | 0.78 | EPHX1 (0.44) | KMT2AMEN1ALDH1A1HSD17B10HPGD | |
| Pyrene SCHEMBL21599111 | 0.78 | ALDH1A1 (0.69) | KMT2AMEN1ALDH1A1HSD17B10HPGD | |
| Alanine SCHEMBL21616532 | 0.78 | SLC7A5 (0.53) | ALDH1A1MAPTXIAPTAAR1 | |
| Alanine SCHEMBL27615995 | 0.78 | SLC7A5 (0.53) | ALDH1A1MAPTXIAPTAAR1 | |
| Pyrene SCHEMBL27931631 | 0.77 | ALDH1A1 (0.58) | KMT2AMEN1ALDH1A1HSD17B10HPGD | |
| SCHEMBL5593608 | 0.76 | AKR1B1 (0.60) | KMT2AMEN1ALDH1A1HSD17B10HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008003773-A1 | METHOD FOR DETECTING INTERACTIONS USING THE FLUORESCENCE REPORTER PYRENYLALANINE | PHARMALEADS (FR) | 2008-01-10 | — | — | WO | disclosed |