Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.60 |
| ▸ | HTT | P42858 | 3/20 | 0.60 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.58 |
| ▸ | RXFP1 | Q9HBX9 | 4/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CCNC | P24863 | 1/20 | 0.50 |
| ▸ | CDK8 | P49336 | 1/20 | 0.50 |
| ▸ | CDK19 | Q9BWU1 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | CSF1R | P07333 | 1/20 | 0.48 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.48 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28379366 | 0.86 | KDM4E (0.58) | HSD17B10ALDH1A1MAPK1KDM4EHTT | |
| SCHEMBL26632977 | 0.81 | SQOR (0.52) | HSD17B10ALDH1A1MAPK1TSHRKDM4E | |
| SCHEMBL3545741 | 0.80 | RXFP1 (0.55) | HSD17B10ALDH1A1MAPK1TSHRKDM4E | |
| SCHEMBL27220351 | 0.80 | KDM4E (0.53) | HSD17B10ALDH1A1MAPK1TSHRKDM4E | |
| SCHEMBL13514300 | 0.80 | MAPK8 (0.59) | ALDH1A1MAPK1KDM4ERXFP1GLA | |
| SCHEMBL27220349 | 0.79 | KDM4E (0.56) | HSD17B10ALDH1A1MAPK1TSHRKDM4E | |
| SCHEMBL27220350 | 0.79 | KDM4E (0.60) | HSD17B10ALDH1A1MAPK1KDM4EHTT | |
| SCHEMBL382313 | 0.77 | KDM4E (0.65) | HSD17B10ALDH1A1MAPK1TSHRKDM4E | |
| SCHEMBL27165992 | 0.76 | KDM4E (0.64) | HSD17B10KDM4ERXFP1MAPTGLA | |
| SCHEMBL30786742 | 0.76 | ALDH1A1 (0.49) | HSD17B10ALDH1A1MAPK1TSHRKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1261327-B1 | ADENOSINE RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2005-04-27 | — | — | EP | disclosed |
| US-6586441-B2 | 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders | HOFFMAN-LA ROCHE INC. | 2003-07-01 | — | — | US | disclosed |