Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | TOP1 | P11387 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | ODC1 | P11926 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4140771 | 0.82 | CA12 (0.54) | CA9CA12ALDH1A1KDM4EMAPT | |
| SCHEMBL2340155 | 0.81 | KDM4E (0.62) | ALDH1A1KDM4EMAPTHPGDNPC1 | |
| SCHEMBL2338034 | 0.80 | KDM4E (0.42) | CA9CA12ALDH1A1KDM4EMAPT | |
| SCHEMBL2047592 | 0.79 | TOP1 (0.47) | CA9CA12TOP1ALDH1A1KDM4E | |
| SCHEMBL1647356 | 0.79 | MAPT (0.52) | CA9TOP1ALDH1A1KDM4EMAPT | |
| SCHEMBL2331538 | 0.78 | GRIA1 (0.38) | CA9ALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL349476 | 0.76 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2 | |
| SCHEMBL11124354 | 0.76 | CA12 (0.45) | CA9CA12ALDH1A1KDM4EMAPT | |
| SCHEMBL2832148 | 0.74 | TDP2 (0.51) | ALDH1A1MAPTCYP1A2CYP3A4KMT2A | |
| SCHEMBL1029836 | 0.74 | KDM4E (0.67) | CA9TOP1KDM4EMAPTSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020098598-A1 | Method for tracking compounds in solution phase combinatorial chemistry | NEXUS BIOSYSTEMS, INC. | 2002-07-25 | — | — | US | disclosed |
| US-5399702-A | Leukotriene antagonists; antiasthmatic, antiallergen, and antianaphylactic agents | HOFFMANN-LA ROCHE INC. (US) | 1995-03-21 | — | — | US | disclosed |
| EP-0577003-A1 | Thiazolylvinylphenyl derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1994-01-05 | — | — | EP | disclosed |
| US-5273986-A | A substituted phenylalkyleneamidophenyleneethylene thiazole | HOFFMANN-LA ROCHE INC. (US) | 1993-12-28 | — | — | US | disclosed |