Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.44 |
| ▸ | NAAA | Q02083 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL374983 | 1.00 | ALDH1A1 (0.54) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| Pentadecane SCHEMBL27714673 | 0.96 | TSHR (0.55) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL10620372 | 0.94 | TSHR (0.56) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL375532 | 0.94 | TSHR (0.56) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL374916 | 0.92 | TSHR (0.59) | ALDH1A1ATMTSHRHCAR2NAAA | |
| SCHEMBL236897 | 0.92 | TSHR (0.59) | ALDH1A1ATMTSHRHCAR2NAAA | |
| SCHEMBL375393 | 0.92 | TSHR (0.59) | ALDH1A1ATMTSHRHCAR2NAAA | |
| SCHEMBL29117607 | 0.92 | TSHR (0.59) | ALDH1A1ATMTSHRHCAR2NAAA | |
| SCHEMBL11142775 | 0.92 | TSHR (0.59) | ALDH1A1ATMTSHRHCAR2NAAA | |
| SCHEMBL28277932 | 0.92 | TSHR (0.59) | ALDH1A1ATMTSHRHCAR2NAAA |
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-2001039766-A2 | SCREENING INVERTEBRATE PHEROMONES FOR THERAPEUTIC ACTIVITY | ALYDAR PHARMACEUTICALS LTD. (IL) | 2001-06-07 | — | — | WO | claimed |
| US-4743705-A | FROM HALOALKENE, ALCOHOL OR ETHER, CARBON MONOXIDE | THE DOW CHEMICAL COMPANY (US) | 1988-05-10 | — | — | US | disclosed |