Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | SMARCA2 | P51531 | 2/20 | 0.33 |
| ▸ | SMARCA4 | P51532 | 2/20 | 0.33 |
| ▸ | PBRM1 | Q86U86 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16013714 | 0.79 | CYP3A4 (0.39) | THRBCYP3A4ALDH1A1TSHRTP53 | |
| SCHEMBL1353155 | 0.78 | THRB (0.67) | THRBCYP3A4ALDH1A1TSHRTP53 | |
| SCHEMBL14744204 | 0.74 | MAP2 (0.39) | THRBCYP3A4ALDH1A1TAAR1TSHR | |
| SCHEMBL12480139 | 0.72 | MAOA (0.45) | CYP3A4ALDH1A1TAAR1CA1CA2 | |
| SCHEMBL14744163 | 0.70 | CYP3A4 (0.42) | THRBCYP3A4ALDH1A1TAAR1TSHR | |
| SCHEMBL3395334 | 0.69 | NPC1 (0.37) | TAAR1CA1CA2GAASMARCA2 | |
| SCHEMBL14746573 | 0.68 | CYP3A4 (0.46) | THRBCYP3A4ALDH1A1TAAR1TSHR | |
| SCHEMBL4844609 | 0.68 | THRB (0.68) | THRBCYP3A4ALDH1A1TSHRTP53 | |
| SCHEMBL1029756 | 0.68 | CYP3A4 (0.58) | THRBCYP3A4ALDH1A1TSHRTP53 | |
| SCHEMBL4653575 | 0.67 | PLA2G7 (0.42) | CYP3A4ALDH1A1TAAR1TSHRTP53 |
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-2013029338-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2013-03-07 | — | — | WO | disclosed |