Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TPMT | P51580 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.33 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL321080 | 0.82 | TPMT (0.48) | ALDH1A1KDM4EMAPK1SMN1; SMN2TPMT | |
| SCHEMBL9737304 | 0.76 | ALDH1A1 (0.52) | ALDH1A1KDM4EMAPK1SMN1; SMN2TPMT | |
| SCHEMBL11157305 | 0.72 | ALDH1A1 (0.47) | ALDH1A1KDM4ESMN1; SMN2DPP4HSD17B10 | |
| SCHEMBL21939457 | 0.72 | ALDH1A1 (0.39) | ALDH1A1KDM4EMAPK1SMN1; SMN2TPMT | |
| SCHEMBL23239920 | 0.71 | KMT2A (0.34) | ALDH1A1KDM4ESMN1; SMN2L3MBTL1MEN1 | |
| SCHEMBL14339400 | 0.69 | KMT2A (0.42) | ALDH1A1SMN1; SMN2TPMTHTTTSHR | |
| SCHEMBL7270831 | 0.69 | ALDH1A1 (0.52) | ALDH1A1KDM4ETPMTHTTTSHR | |
| SCHEMBL26281350 | 0.68 | KMT2A (0.38) | ALDH1A1MAPK1SMN1; SMN2TSHRGPR35 | |
| SCHEMBL31644013 | 0.68 | CYP3A4 (0.60) | ALDH1A1KDM4EMAPK1SMN1; SMN2HSD17B10 | |
| SCHEMBL21939510 | 0.68 | PTPN1 (0.51) | ALDH1A1KDM4EMAPK1SMN1; SMN2TPMT |
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 |
|---|---|---|---|---|---|---|---|
| US-4182877-A | ONE STEP CYCLIZATION OF UNSATURATED AMINO ACID, PHOSPHORUS OXYCHLORIDE | COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) | 1980-01-08 | — | — | US | disclosed |