Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MDM2 | Q00987 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8728691 | 0.91 | MDM2 (0.66) | MDM2HPGDALDH1A1MAPTCYP3A4 | |
| SCHEMBL8728688 | 0.91 | MDM2 (0.66) | MDM2HPGDALDH1A1MAPTCYP3A4 | |
| SCHEMBL31561605 | 0.88 | MDM2 (0.53) | MDM2HPGDALDH1A1MAPTCYP3A4 | |
| SCHEMBL9665304 | 0.86 | RAB9A (0.56) | MDM2HPGDALDH1A1MAPTCYP3A4 | |
| SCHEMBL31561600 | 0.86 | KMT2A (0.61) | MDM2HPGDALDH1A1MAPTCYP3A4 | |
| SCHEMBL31561612 | 0.83 | PPARG (0.57) | MDM2ALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL31561607 | 0.83 | RAB9A (0.55) | MDM2HPGDALDH1A1MAPTCYP3A4 | |
| SCHEMBL31561619 | 0.82 | PPARG (0.52) | MDM2ALDH1A1MAPTCYP3A4TSHR | |
| SCHEMBL8852780 | 0.82 | CA1 (0.61) | ALDH1A1TSHRMAPK1NPC1RAB9A | |
| SCHEMBL31561601 | 0.81 | MDM2 (0.53) | MDM2HPGDALDH1A1CYP3A4TSHR |
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-3275465-B1 | THERAPEUTIC COMPOSITIONS COMPRISING A COMBINATION OF A HARMINE AND ISOVANILLIN COMPONENT | ANKH LIFE SCIENCES LTD (IE) | 2020-05-06 | — | — | EP | disclosed |