Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TLR2 | O60603 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19140752 | 0.83 | MAPK1 (0.44) | MAPK1KDM4EALDH1A1KMT2AHSD17B10 | |
| SCHEMBL31514466 | 0.73 | USP2 (0.48) | MAPK1KDM4EALDH1A1KMT2AHSD17B10 | |
| SCHEMBL15199376 | 0.70 | ALDH1A1 (0.46) | MAPK1KDM4EALDH1A1KMT2AHSD17B10 | |
| SCHEMBL14576530 | 0.69 | MAPK1 (0.40) | MAPK1KDM4EALDH1A1KMT2AHSD17B10 | |
| SCHEMBL21844090 | 0.69 | ALDH1A1 (0.50) | MAPK1KDM4EALDH1A1KMT2AHSD17B10 | |
| SCHEMBL24592591 | 0.69 | USP2 (0.45) | MAPK1KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL12926002 | 0.69 | KDM4E (0.68) | MAPK1KDM4EALDH1A1KMT2AHPGD | |
| SCHEMBL29867989 | 0.69 | KDM4E (0.68) | MAPK1KDM4EALDH1A1KMT2AHPGD | |
| SCHEMBL14588430 | 0.68 | ALOX5 (0.37) | KDM4EALDH1A1KMT2ANPC1RAB9A | |
| SCHEMBL14398892 | 0.67 | KDM4E (1.00) | MAPK1KDM4EALDH1A1KMT2ANPC1 |
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-3192794-A1 | SUSTAINED HIV PROTEASE INHIBITOR | Shionogi & Co., Ltd. (JP) | 2017-07-19 | — | — | EP | disclosed |