Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 10/20 | 0.76 |
| ▸ | CA1 | P00915 | 6/20 | 0.57 |
| ▸ | CA2 | P00918 | 6/20 | 0.57 |
| ▸ | CA12 | O43570 | 3/20 | 0.55 |
| ▸ | CA7 | P43166 | 3/20 | 0.55 |
| ▸ | CA9 | Q16790 | 3/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.55 |
| ▸ | ESR1 | P03372 | 1/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.55 |
| ▸ | LCK | P06239 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL12767385 | 0.90 | EGFR (0.61) | EGFRCA1CA2CA12CA7 | |
| SCHEMBL31154171 | 0.88 | EGFR (0.59) | EGFRCA1CA2CA12CA7 | |
| SCHEMBL13639913 | 0.88 | EGFR (0.59) | EGFRCA1CA2CA12CA7 | |
| SCHEMBL12416822 | 0.83 | FNTA (0.65) | EGFRCA1CA2MAOBKDM4E | |
| SCHEMBL11410271 | 0.82 | EGFR (0.61) | EGFRCA1CA2CA12CA7 | |
| SCHEMBL11410275 | 0.82 | EGFR (0.61) | EGFRCA1CA2CA12CA7 | |
| SCHEMBL12416615 | 0.81 | CA2 (0.72) | EGFRCA1CA2CA12CA7 | |
| SCHEMBL9404117 | 0.79 | EGFR (0.71) | EGFRCA1CA2LCKMAOA | |
| SCHEMBL20334064 | 0.79 | EGFR (0.71) | EGFRCA1CA2LCKMAOA | |
| SCHEMBL13639885 | 0.78 | ALDH1A1 (0.49) | EGFRCA1CA2CA12CA7 |
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-2018116158-A1 | HYDROXYBENZENE DERIVATIVES HAVING A N-ARYL SUBSTITUTE IMINO GROUP AND USE THEREOF IN THE TREATMENT OF SOLID TUMOURS | Università degli Studi di Salerno (IT) | 2018-06-28 | — | — | WO | disclosed |