Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7584252 | 0.83 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2MAPK1TDP1TSHR | |
| SCHEMBL7520380 | 0.81 | MT-CO2 (0.51) | ALDH1A1SMN1; SMN2MAPK1PTGS2KDM4E | |
| SCHEMBL7518230 | 0.81 | KDM4E (0.40) | ALDH1A1SMN1; SMN2PTGS2KDM4EMAPT | |
| SCHEMBL7515459 | 0.80 | IDO1 (0.43) | ALDH1A1CA1EGFR | |
| SCHEMBL7519247 | 0.78 | SMN1; SMN2 (0.55) | SMN1; SMN2MAPK1TDP1TSHRKDM4E | |
| SCHEMBL7524044 | 0.78 | KIF11 (0.40) | KDM4EMAPTMEN1KMT2ACA1 | |
| SCHEMBL7517550 | 0.78 | MAPT (0.50) | ALDH1A1SMN1; SMN2MAPK1HSD17B10TDP1 | |
| SCHEMBL7520161 | 0.76 | KIF11 (0.52) | ALDH1A1SMN1; SMN2MAPTHTTRAB9A | |
| SCHEMBL3036155 | 0.73 | POLB (0.53) | ALDH1A1MAPK1HSD17B10L3MBTL1TSHR | |
| SCHEMBL7524238 | 0.71 | RAPGEF4 (0.46) | ALDH1A1SMN1; SMN2TDP1L3MBTL1TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0214009-A2 | Enaminones as potential prodrugs of primary and secondary amines | MERCK & CO. INC. (US) | 1987-03-11 | — | — | EP | claimed |
| CN-111675715-B | Difuranopyridine derivative and preparation method thereof | 江苏建筑职业技术学院 | 2022-10-18 | — | — | CN | disclosed |
| CN-111675715-A | Difuranopyridine derivative and preparation method thereof | 江苏建筑职业技术学院 | 2020-09-18 | — | — | CN | disclosed |
| EP-1173420-A2 | HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY | Novuspharma S.p.A. (IT) | 2002-01-23 | — | — | EP | disclosed |
| WO-2000053581-A2 | HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY | NOVUSPHARMA S.P.A. (IT) | 2000-09-14 | — | — | WO | disclosed |
| EP-0214009-A2 | Enaminones as potential prodrugs of primary and secondary amines | MERCK & CO. INC. (US) | 1987-03-11 | — | — | EP | disclosed |