Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 10/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | AGPAT2 | O15120 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11137005 | 0.88 | ABL1 (0.51) | ABL1CYP1A2CYP2C19CA12CA1 | |
| SCHEMBL11435532 | 0.85 | CA12 (0.50) | ABL1CYP1A2CYP2C19CA12CA1 | |
| SCHEMBL9819103 | 0.82 | ACP1 (0.53) | ABL1CYP1A2CYP2C19CA12CA1 | |
| SCHEMBL9819126 | 0.81 | CYP3A4 (0.63) | ABL1CYP1A2CYP2C19CA12CA1 | |
| SCHEMBL8072208 | 0.80 | CA12 (0.51) | ABL1CYP1A2CYP2C19CA12CA1 | |
| SCHEMBL4620182 | 0.78 | TSHR (0.66) | CYP1A2CYP2C19KMT2AMEN1HTT | |
| SCHEMBL11140544 | 0.78 | ALDH1A1 (0.69) | CYP1A2CYP2C19CA2KMT2AMEN1 | |
| SCHEMBL16150319 | 0.77 | CYP3A4 (0.66) | KMT2AMEN1POLBMAPTALDH1A1 | |
| SCHEMBL11122026 | 0.75 | CA12 (0.73) | ABL1CYP1A2CYP2C19CA12CA1 | |
| SCHEMBL1618221 | 0.75 | ALDH1A1 (0.64) | ABL1CYP1A2CYP2C19CA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1402887-A1 | New compounds for the inhibition of undesired cell proliferation and use thereof | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |
| EP-1402888-A1 | The use of substituted carbocyclic compounds as rotamases inhibitors | Jerini AG (DE) | 2004-03-31 | — | — | EP | claimed |