Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSR | P00390 | 2/20 | 0.49 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5074504 | 0.82 | NPC1 (0.47) | SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL6285905 | 0.80 | MAPT (0.49) | SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL13165978 | 0.70 | GSR (0.67) | GSRMMP2MMP9MMP8SMN1; SMN2 | |
| SCHEMBL7284408 | 0.69 | NPC1 (0.54) | SMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL461166 | 0.69 | GSR (0.65) | GSRMMP2MMP9MMP8SMN1; SMN2 | |
| SCHEMBL6803554 | 0.69 | GSR (0.65) | GSRSMN1; SMN2RAB9AKMT2A | |
| SCHEMBL11007257 | 0.69 | GSR (0.65) | GSRMMP2MMP9MMP8KMT2A | |
| SCHEMBL1327005 | 0.67 | GSR (0.63) | GSRMMP2MMP9MMP8KMT2A | |
| SCHEMBL11628318 | 0.67 | GSR (0.63) | GSRMMP2MMP9MMP8KMT2A | |
| SCHEMBL21747253 | 0.67 | NPC1 (0.55) | SMN1; SMN2NPC1RAB9AKMT2A |
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-1369415-A1 | Substituted pyrrolyl compounds for the treatment of inflammation | G.D. SEARLE & CO. (US) | 2003-12-10 | — | — | EP | disclosed |
| US-5935990-A | PYRROLYL DERIVATIVES HAVING AT POSITION 1 OR 5 A PHENYL SUBSTITUTED WITH METHYLSULFONYL OR AMINOSULFONYL; INHIBIT CYCLOOXYGENASE-2 FOR USE TREATMENT OF INFLAMMATION, AS AN ANALGESIC, OR AS AN ANTIPYRETIC | G.D. SEARLE & CO. (US) | 1999-08-10 | — | — | US | disclosed |