Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | CRHBP | P24387 | 1/20 | 0.53 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.53 |
| ▸ | SIRT1 | Q96EB6 | 4/20 | 0.48 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | ALPI | P09923 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | ALPG | P10696 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TOP1 | P11387 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19551422 | 0.87 | KMT2A (0.59) | KMT2AALDH1A1CRHBPCRHR2SIRT1 | |
| SCHEMBL16319317 | 0.81 | KMT2A (0.76) | KMT2AALDH1A1MEN1ALPLALPI | |
| SCHEMBL435198 | 0.78 | SIRT1 (0.71) | KMT2AALDH1A1CRHBPCRHR2SIRT1 | |
| SCHEMBL28606256 | 0.78 | KMT2A (0.76) | KMT2AALDH1A1SIRT1LCKMEN1 | |
| SCHEMBL2497792 | 0.78 | KMT2A (0.59) | KMT2AALDH1A1CRHBPCRHR2SIRT1 | |
| SCHEMBL17199432 | 0.76 | ALDH1A1 (0.67) | KMT2AALDH1A1CRHBPCRHR2SIRT1 | |
| SCHEMBL3076148 | 0.76 | KMT2A (0.56) | KMT2AALDH1A1CRHBPCRHR2SIRT1 | |
| SCHEMBL22409650 | 0.75 | KMT2A (0.56) | KMT2AALDH1A1CRHBPCRHR2SIRT1 | |
| SCHEMBL12663535 | 0.75 | ALDH1A1 (0.66) | KMT2AALDH1A1MEN1CYP1A2CYP3A4 | |
| SCHEMBL31462528 | 0.72 | KMT2A (0.56) | KMT2AALDH1A1CRHBPCRHR2SIRT1 |
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-3453704-A1 | PHENOL COMPOUND AND COMBINATION OF SAME WITH A BENZODIAZEPINE FUSED TO 1,4-DIHYDROPYRIDINE FOR TREATING DISEASES OF THE CENTRAL NERVOUS AND VASCULAR SYSTEMS | Universidad de La Habana (CU) | 2019-03-13 | — | — | EP | disclosed |