Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.30 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6001561 | 0.79 | ALDH1A1 (0.38) | HSD17B10TDP1KMT2AKDM4EALDH1A1 | |
| SCHEMBL29529441 | 0.75 | ALDH1A1 (0.41) | HSD17B10TDP1KDM4EALDH1A1CYP2A6 | |
| SCHEMBL28244381 | 0.75 | ALDH1A1 (0.35) | HSD17B10TDP1KDM4EALDH1A1CYP2A6 | |
| SCHEMBL27727299 | 0.72 | CYP1A2 (0.31) | CYP2A6TSHRCYP1A2 | |
| SCHEMBL10944396 | 0.72 | HSD17B10 (0.37) | HSD17B10TDP1KMT2AKDM4EALDH1A1 | |
| SCHEMBL147974 | 0.71 | CA4 (0.37) | HSD17B10TDP1KMT2AKDM4EMGLL | |
| SCHEMBL547450 | 0.71 | PTPN1 (0.39) | HSD17B10TDP1KMT2AALDH1A1CYP2A6 | |
| SCHEMBL27560293 | 0.71 | ALDH1A1 (0.31) | HSD17B10TDP1ALDH1A1CYP2A6TSHR | |
| SCHEMBL27727303 | 0.69 | RAB9A (0.31) | — | |
| SCHEMBL9564638 | 0.68 | KMT2A (0.42) | HSD17B10TDP1KMT2AKDM4EALDH1A1 |
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-1661897-A1 | PYRROLOPYRIMIDINONE DERIVATIVE | Teijin Pharma Limited (JP) | 2006-05-31 | — | — | EP | disclosed |