Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 5/20 | 0.47 |
| ▸ | ATF1 | P18846 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.44 |
| ▸ | RELA | Q04206 | 2/20 | 0.44 |
| ▸ | JUN | P05412 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL11616664 | 0.87 | TSHR (0.51) | TSHRL3MBTL1TDP1NFKB1ATF1 | |
| SCHEMBL3435395 | 0.86 | RAB9A (0.53) | TSHRNFKB1NPC1ALDH1A1RAB9A | |
| SCHEMBL31391972 | 0.86 | RAB9A (0.53) | TSHRNFKB1NPC1ALDH1A1RAB9A | |
| SCHEMBL17681989 | 0.86 | TSHR (0.54) | TSHRL3MBTL1TDP1NFKB1ATF1 | |
| SCHEMBL11612044 | 0.82 | LMNA (0.54) | TSHRL3MBTL1TDP1NFKB1ATF1 | |
| SCHEMBL11613281 | 0.80 | TSHR (0.44) | TSHRL3MBTL1TDP1NFKB1ATF1 | |
| SCHEMBL4772704 | 0.78 | NPC1 (0.52) | TSHRL3MBTL1TDP1NFKB1NPC1 | |
| SCHEMBL23620367 | 0.78 | ALDH1A1 (0.49) | TSHRL3MBTL1TDP1NFKB1ATF1 | |
| SCHEMBL16543698 | 0.77 | JUN (0.49) | TSHRTDP1NFKB1NPC1ALDH1A1 | |
| SCHEMBL16543697 | 0.77 | NFKB1 (0.51) | L3MBTL1NFKB1ATF1NPC1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016057762-A1 | SUBSTITUTED PYRIMIDINES AS INHIBITORS OF HIF PROLYL HYDROXYLASE | MERCK SHARP & DOHME CORP (US) | 2016-04-14 | — | — | WO | disclosed |