Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES | O14684 | 1/20 | 0.48 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | NQO1 | P15559 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | RAD52 | P43351 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30579607 | 0.84 | NQO1 (0.40) | PTGESALOX5NQO1SMN1; SMN2ALDH1A1 | |
| SCHEMBL30579586 | 0.84 | ERN1 (0.42) | PTGESALOX5NQO1SMN1; SMN2ALDH1A1 | |
| SCHEMBL2889415 | 0.82 | MAOA (0.58) | PTGESALOX5NQO1SMN1; SMN2ALDH1A1 | |
| SCHEMBL27423013 | 0.81 | MAOA (0.56) | PTGESALOX5NQO1SMN1; SMN2ALDH1A1 | |
| SCHEMBL21718366 | 0.80 | NQO1 (0.46) | PTGESALOX5NQO1ALDH1A1KDM4E | |
| SCHEMBL2633152 | 0.79 | PTGES (0.49) | PTGESALOX5NQO1SMN1; SMN2ALDH1A1 | |
| SCHEMBL6681989 | 0.78 | MAPT (0.55) | PTGESALOX5NQO1SMN1; SMN2ALDH1A1 | |
| SCHEMBL421522 | 0.78 | PTGES (0.48) | PTGESALOX5NQO1SMN1; SMN2ALDH1A1 | |
| SCHEMBL13302148 | 0.78 | PTGES (0.48) | PTGESALOX5NQO1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7301542 | 0.78 | PTGES (0.51) | PTGESALOX5NQO1SMN1; SMN2ALDH1A1 |
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-0853618-B1 | SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS | AVENTIS PHARMA INC (US) | 2011-08-17 | — | — | EP | claimed |
| EP-0853618-B1 | SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS | AVENTIS PHARMA INC (US) | 2011-08-17 | — | — | EP | disclosed |