Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 3/20 | 0.51 |
| ▸ | CA2 | P00918 | 3/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA7 | P43166 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8302756 | 0.95 | LMNA (0.59) | CYP1A2LMNACYP3A4MAOACA1 | |
| SCHEMBL15672816 | 0.82 | CA1 (0.63) | CYP1A2LMNACYP3A4MAOACA1 | |
| SCHEMBL16351874 | 0.82 | CA1 (0.73) | CYP1A2LMNACYP3A4MAOACA1 | |
| SCHEMBL1965326 | 0.82 | CA1 (0.73) | CYP1A2LMNACYP3A4MAOACA1 | |
| SCHEMBL5117726 | 0.80 | LMNA (0.56) | CYP1A2LMNACYP3A4MAOACA1 | |
| SCHEMBL9468073 | 0.80 | CA12 (0.56) | CYP1A2LMNACYP3A4MAOACA1 | |
| SCHEMBL4209249 | 0.80 | CA2 (0.51) | CYP1A2LMNACYP3A4MAOACA1 | |
| SCHEMBL5863054 | 0.79 | CA2 (0.49) | CYP1A2LMNACYP3A4MAOACA1 | |
| SCHEMBL8026489 | 0.79 | CA12 (0.59) | CYP1A2LMNACYP3A4MAOACA1 | |
| SCHEMBL1139401 | 0.79 | LOXL2 (0.58) | LMNACA1CA2CA12CA7 |
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-0410244-A1 | Leukotriene antagonists | BAYER AG (DE) | 1991-01-30 | — | — | EP | disclosed |