Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | LIG1 | P18858 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.37 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HPD | P32754 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11213049 | 0.83 | RAB9A (0.47) | CYP3A4CYP2A6HPGDLIG1TSHR | |
| SCHEMBL29606398 | 0.82 | ALDH1A1 (0.53) | CYP3A4CYP2A6HPGDLIG1TSHR | |
| SCHEMBL2062255 | 0.82 | CYP3A4 (0.40) | CYP3A4CYP2A6HPGDLIG1TSHR | |
| SCHEMBL9092700 | 0.81 | ALDH1A1 (0.41) | CYP3A4CYP2A6HPGDLIG1TSHR | |
| SCHEMBL10499693 | 0.80 | KMT2A (0.51) | TLR8CYP3A4HPGDGAAMAPK1 | |
| SCHEMBL20423153 | 0.79 | LIG1 (0.50) | CYP3A4LIG1TSHRGAAMEN1 | |
| SCHEMBL30367075 | 0.79 | LIG1 (0.50) | CYP3A4LIG1TSHRGAAMEN1 | |
| SCHEMBL12006023 | 0.79 | RAB9A (0.46) | CYP3A4CYP2A6HPGDLIG1TSHR | |
| SCHEMBL28130916 | 0.77 | CA2 (0.46) | CYP3A4CYP2A6HPGDLIG1TSHR | |
| SCHEMBL31286145 | 0.77 | CA2 (0.46) | CYP3A4CYP2A6HPGDLIG1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5071468-A | Cereal selectivity | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1991-12-10 | — | — | US | disclosed |
| EP-0375076-A1 | Heterocyclic herbicides | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1990-06-27 | — | — | EP | disclosed |