Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 4/20 | 0.41 |
| ▸ | RECQL | P46063 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | S100B | P04271 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8762387 | 0.84 | NR4A1 (0.58) | ALDH1A1CYP3A4TDP1TSHRS100B | |
| SCHEMBL486670 | 0.81 | NR4A1 (0.61) | ALDH1A1CYP3A4TDP1TSHRS100B | |
| SCHEMBL28340023 | 0.79 | KMT2A (0.54) | ALDH1A1CYP3A4TDP1TSHRTHRB | |
| SCHEMBL29568160 | 0.79 | ALDH1A1 (0.59) | ALDH1A1CYP3A4TDP1TSHRTHRB | |
| SCHEMBL91981 | 0.79 | ALDH1A1 (0.59) | ALDH1A1CYP3A4TDP1TSHRTHRB | |
| SCHEMBL7185516 | 0.78 | ALDH1A1 (0.61) | ALDH1A1CYP3A4TDP1TSHRNR4A1 | |
| SCHEMBL31457310 | 0.78 | ALDH1A1 (0.61) | ALDH1A1CYP3A4TDP1TSHRNR4A1 | |
| SCHEMBL10350063 | 0.78 | ALDH1A1 (0.61) | ALDH1A1CYP3A4TDP1TSHRNR4A1 | |
| SCHEMBL10353183 | 0.78 | ALDH1A1 (0.58) | ALDH1A1CYP3A4TDP1TSHRS100B | |
| SCHEMBL2288471 | 0.78 | TDP1 (0.50) | ALDH1A1TDP1SMN1; SMN2MAPTL3MBTL1 |
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-2609917-A1 | Triazolyl alpha -mercaptoacetanilides as inhibitors of HIV reverse transcriptase | Ardea Biosciences, Inc. (US) | 2013-07-03 | — | — | EP | disclosed |