Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | TSHR | P16473 | 4/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.41 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.41 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4416018 | 0.83 | MAPK1 (0.57) | ALDH1A1TSHRCYP3A4RECQLMAPT | |
| SCHEMBL29558887 | 0.81 | ALDH1A1 (0.53) | ALDH1A1TSHRCYP3A4RECQLMAPT | |
| SCHEMBL20693074 | 0.81 | ALDH1A1 (0.53) | ALDH1A1TSHRCYP3A4RECQLMAPT | |
| SCHEMBL1095903 | 0.80 | ALDH1A1 (0.51) | ALDH1A1TSHRCYP3A4RECQLMAPT | |
| SCHEMBL29588338 | 0.78 | NPC1 (0.60) | ALDH1A1TSHRCYP3A4RECQLMAPT | |
| SCHEMBL4089390 | 0.78 | NPC1 (0.60) | ALDH1A1TSHRCYP3A4RECQLMAPT | |
| SCHEMBL28490611 | 0.77 | ALDH1A1 (0.36) | ALDH1A1TSHRMAPTTDP1LMNA | |
| SCHEMBL10662749 | 0.76 | TSHR (0.55) | ALDH1A1TSHRCYP3A4RECQLMAPT | |
| SCHEMBL15927423 | 0.73 | TSHR (0.55) | ALDH1A1TSHRCYP3A4RECQLMAPT | |
| SCHEMBL13168958 | 0.71 | ALDH1A1 (0.45) | ALDH1A1TSHRCYP3A4RECQLMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3081558-A1 | 8-SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS | Array Biopharma, Inc. (US) | 2016-10-19 | — | — | EP | disclosed |