Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 14/20 | 0.46 |
| ▸ | NPC1 | O15118 | 13/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | PKM | P14618 | 2/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.44 |
| ▸ | GFER | P55789 | 2/20 | 0.44 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8185284 | 0.80 | NPC1 (0.50) | PTGS1PTGS2RAB9ANPC1KDM4E | |
| SCHEMBL8189521 | 0.80 | PTGS1 (0.44) | PTGS1PTGS2RAB9ANPC1KDM4E | |
| SCHEMBL6167210 | 0.79 | PTGS1 (0.50) | PTGS1PTGS2RAB9ANPC1KDM4E | |
| SCHEMBL9517962 | 0.78 | NPC1 (0.48) | PTGS1PTGS2RAB9ANPC1KDM4E | |
| SCHEMBL171008 | 0.74 | PTGS1 (0.52) | PTGS1PTGS2RAB9ANPC1KDM4E | |
| SCHEMBL9517906 | 0.73 | RAB9A (0.66) | RAB9ANPC1KDM4EPKMSMN1; SMN2 | |
| SCHEMBL10333563 | 0.73 | KDM4E (0.54) | PTGS1PTGS2RAB9ANPC1KDM4E | |
| SCHEMBL31731985 | 0.73 | RAB9A (0.67) | PTGS1PTGS2RAB9ANPC1KDM4E | |
| SCHEMBL25150638 | 0.72 | APP (0.32) | — | |
| SCHEMBL22607307 | 0.72 | HRH4 (0.42) | KDM4EALDH1A1MAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018237349-A1 | INHIBITORS OF TYPED 1 METHIONYL-TRNA SYNTHETASE AND METHODS OF USING THEM | UNIVERSITY OF WASHINGTON (US) | 2018-12-27 | — | — | WO | claimed |
| US-9944644-B2 | Octahydropyrrolopyrroles their preparation and use | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2018-04-17 | — | — | US | disclosed |