Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.46 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 4/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | SYK | P43405 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | GLA | P06280 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28152251 | 0.81 | CA1 (0.55) | NPC1RAB9A | |
| SCHEMBL28043938 | 0.81 | PTGS2 (0.54) | — | |
| SCHEMBL15757592 | 0.79 | NUDT1 (0.59) | NPC1RAB9AL3MBTL1KDM4EALDH1A1 | |
| SCHEMBL28043723 | 0.78 | HRH4 (0.63) | HRH4 | |
| SCHEMBL28151149 | 0.77 | HRH4 (0.64) | CYP2C19HRH4CYP2D6TLR8AURKA | |
| SCHEMBL28151182 | 0.76 | HRH4 (0.52) | ALDH1A1SMN1; SMN2HRH4PTGDRTLR8 | |
| SCHEMBL28043889 | 0.76 | TGFBR1 (0.43) | RAB9AKDM4EALDH1A1CYP1A2MAPT | |
| SCHEMBL28043772 | 0.76 | AURKA (0.54) | HRH4NOS1TLR8AURKAPDPK1 | |
| SCHEMBL28043933 | 0.74 | HRH4 (0.50) | ALDH1A1SMN1; SMN2HRH4PTGDRTLR8 | |
| SCHEMBL28043930 | 0.73 | HRH4 (0.55) | SMN1; SMN2CYP2C19HRH4CYP2D6TLR8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105143206-B | Pyrimidine -2,4- diamine derivative for treating cancer | 托马斯·黑勒戴药物研究基金会 | 2019-01-15 | — | — | CN | disclosed |
| CN-106794181-A | MTH1 inhibitors for the treatment of inflammatory and autoimmune conditions | 托马斯·黑勒戴药物研究基金会 | 2017-05-31 | — | — | CN | disclosed |
| CN-105143206-A | Pyrimidine-2,4-diamine derivatives for treatment of cancer | THOMAS HELLEDAYS STIFTELSE F R MEDICINSK FORSKNING | 2015-12-09 | — | — | CN | disclosed |