Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | THRB | P10828 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | CCR5 | P51681 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | PTGES | O14684 | 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 | |
|---|---|---|---|---|
| SCHEMBL254195 | 0.87 | KDR (0.47) | ALDH1A1THRBMAPTCYP3A4CYP2D6 | |
| SCHEMBL248407 | 0.81 | HPGD (0.49) | ALDH1A1LMNAHTT | |
| SCHEMBL4735948 | 0.80 | SLC22A12 (0.49) | ALDH1A1THRBCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL12379027 | 0.75 | KDR (0.50) | ALDH1A1THRBMAPTCYP3A4CYP2D6 | |
| SCHEMBL249360 | 0.74 | KDR (0.48) | ALDH1A1THRBMAPTCYP3A4CYP2D6 | |
| SCHEMBL16609001 | 0.73 | HPGD (0.44) | ALDH1A1LMNAHTT | |
| SCHEMBL1563417 | 0.72 | KMT2A (0.54) | ALDH1A1MAPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11996355 | 0.72 | HTT (0.62) | ALDH1A1MAPTCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10029198 | 0.71 | SLC22A12 (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19HTT | |
| SCHEMBL12010033 | 0.70 | MAPT (0.47) | ALDH1A1THRBMAPTCYP3A4CYP2D6 |
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-2433633-A1 | Triazolyl alpha -mercaptoacetanildes as inhibitors of HIV reverse transcriptase | Ardea Biosciences, Inc. (US) | 2012-03-28 | — | — | EP | disclosed |