Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | HTR6 | P50406 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | BRD1 | O95696 | 1/20 | 0.41 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.41 |
| ▸ | BRPF3 | Q9ULD4 | 1/20 | 0.41 |
| ▸ | GHSR | Q92847 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8524922 | 0.94 | ALDH1A1 (0.46) | HPGDL3MBTL1HTR6CA12CA9 | |
| SCHEMBL8505563 | 0.88 | PTGS2 (0.50) | HPGDPTGS2ALDH1A1KMT2AGHSR | |
| SCHEMBL8502413 | 0.87 | POLB (0.44) | HPGDL3MBTL1HTR6CA12CA9 | |
| SCHEMBL8505150 | 0.86 | ALDH1A1 (0.47) | HPGDL3MBTL1HTR6CA12CA9 | |
| SCHEMBL8504269 | 0.82 | HTR6 (0.44) | HPGDL3MBTL1HTR6CA12CA9 | |
| SCHEMBL8505677 | 0.82 | ALDH1A1 (0.41) | HPGDPTGS2ALDH1A1LMNAMEN1 | |
| SCHEMBL8503404 | 0.81 | POLB (0.56) | HPGDL3MBTL1POLBALDH1A1LMNA | |
| SCHEMBL8504469 | 0.81 | TSHR (0.48) | L3MBTL1PTGS2ALDH1A1MAPTMEN1 | |
| SCHEMBL8502466 | 0.79 | CYP2C9 (0.53) | CA12CA9POLBPTGS2ALDH1A1 | |
| SCHEMBL8504989 | 0.78 | CYP2C9 (0.53) | HPGDL3MBTL1CA12CA9POLB |
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 |
|---|---|---|---|---|---|---|---|
| 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 |