Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.38 |
| ▸ | GAA | P10253 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | GLA | P06280 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.33 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
| ▸ | NAPEPLD | Q6IQ20 | 3/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2177333 | 0.88 | KDM4E (0.36) | ALDH1A1KDM4EGAANPC1RAB9A | |
| SCHEMBL2177340 | 0.88 | KDM4E (0.36) | ALDH1A1KDM4EGAANPC1RAB9A | |
| SCHEMBL2178181 | 0.72 | ALDH1A1 (0.45) | ALDH1A1KDM4EGAANPC1RAB9A | |
| SCHEMBL2176961 | 0.69 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAAGLAMAPT | |
| SCHEMBL2176953 | 0.69 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAAGLAMAPT | |
| SCHEMBL12408670 | 0.65 | KDM4E (0.36) | ALDH1A1KDM4ENPC1RAB9AMAPT | |
| Hydrochloric Acid SCHEMBL3281689 | 0.61 | IKBKB (0.44) | KDM4E | |
| SCHEMBL6878639 | 0.61 | RARB (0.44) | ALDH1A1GLAMAPTPOLBTP53 | |
| SCHEMBL6878636 | 0.61 | RARB (0.44) | ALDH1A1GLAMAPTPOLBTP53 | |
| SCHEMBL2927049 | 0.60 | HPGD (0.67) | ALDH1A1KDM4EGAAMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2342191-A1 | AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE | Mitsubishi Tanabe Pharma Corporation (JP) | 2011-07-13 | — | — | EP | disclosed |
| WO-2010030027-A1 | AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2010-03-18 | — | — | WO | disclosed |