Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL265881 | 0.82 | L3MBTL1 (0.56) | ALOX5NLRP3SMN1; SMN2CYP1A2KDM4E | |
| SCHEMBL8813563 | 0.82 | CA2 (0.63) | ALOX5PTGS1AKR1C3AKR1C2NLRP3 | |
| SCHEMBL31443016 | 0.82 | CA2 (0.63) | ALOX5PTGS1AKR1C3AKR1C2NLRP3 | |
| SCHEMBL21556072 | 0.81 | CYP1A2 (0.66) | ALOX5SMN1; SMN2CYP3A4NPC1RAB9A | |
| SCHEMBL18537208 | 0.81 | L3MBTL1 (0.51) | ALOX5PTGS1AKR1C3AKR1C2NLRP3 | |
| Methane SCHEMBL9087531 | 0.81 | CA2 (0.61) | ALOX5PTGS1AKR1C3AKR1C2NLRP3 | |
| SCHEMBL4672727 | 0.81 | CA2 (0.64) | ALOX5PTGS1AKR1C3AKR1C2NLRP3 | |
| SCHEMBL7801633 | 0.80 | HSP90AB1 (0.58) | ALOX5PTGS1AKR1C3AKR1C2NLRP3 | |
| SCHEMBL28550460 | 0.79 | PTGS1 (0.45) | PTGS1AKR1C3AKR1C2POLBSMN1; SMN2 | |
| SCHEMBL5239907 | 0.79 | PTGS1 (0.45) | PTGS1AKR1C3AKR1C2POLBSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102316733-A | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | INST MEDICAL W & E HALL | 2012-01-11 | — | — | CN | disclosed |
| EP-1654236-A1 | NAPHTHYLENE DERIVATIVES AS CYTOCHROME P450 INHIBITORS | OSI Pharmaceuticals, Inc. (US) | 2006-05-10 | — | — | EP | disclosed |
| WO-2005007631-A1 | NAPHTHYLENE DERIVATIVES AS CYTOCHROME P450 INHIBITORS | OSI PHARMACEUTICALS, INC. (US) | 2005-01-27 | — | — | WO | disclosed |