Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.43 |
| ▸ | WNT3A | P56704 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL15303617 | 0.85 | KDM4E (0.50) | ALDH1A1HPGDKDM4ESSTR4ALOX15 | |
| SCHEMBL3834658 | 0.81 | KDM4E (0.44) | ALDH1A1HPGDKDM4EMAPK1MEN1 | |
| SCHEMBL1280798 | 0.79 | SSTR4 (0.43) | ALDH1A1HPGDNPC1RAB9ANPSR1 | |
| SCHEMBL27712540 | 0.79 | LMNA (0.48) | ALDH1A1HPGDNPC1RAB9ACYP1A2 | |
| SCHEMBL1384171 | 0.79 | NPC1 (0.74) | ALDH1A1HPGDNPC1RAB9AL3MBTL1 | |
| SCHEMBL16794805 | 0.77 | NPC1 (0.67) | ALDH1A1HPGDNPC1RAB9ACYP1A2 | |
| SCHEMBL4034458 | 0.74 | MAOB (0.51) | NPC1RAB9AL3MBTL1MEN1KMT2A | |
| SCHEMBL8776853 | 0.73 | ALDH1A1 (0.64) | ALDH1A1HPGDNPC1RAB9ACYP1A2 | |
| SCHEMBL21748902 | 0.73 | SSTR4 (0.59) | ALDH1A1CYP2C9KDM4ESSTR4 | |
| SCHEMBL8776818 | 0.72 | CYP11B1 (0.48) | ALDH1A1HPGDNPC1RAB9AL3MBTL1 |
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-0808304-A1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024584-A1 | 2,3-SUBSTITUTED PYRIDINES FOR THE TREATMENT OF INFLAMMATION | G.D. SEARLE & CO. (US) | 1996-08-15 | — | — | WO | disclosed |