Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CALCA | P06881 | 1/20 | 0.34 |
| ▸ | SCD | O00767 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1376702 | 0.92 | CYP2C9 (0.72) | CYP2C9KCNH2ALDH1A1MAPTCALCA | |
| SCHEMBL1376275 | 0.87 | KCNH2 (0.63) | CYP2C9KCNH2ALDH1A1KDM4EMAPT | |
| SCHEMBL1749433 | 0.87 | CYP2C9 (0.79) | CYP2C9KCNH2ALDH1A1KDM4EMAPT | |
| SCHEMBL14097958 | 0.83 | CYP2C9 (0.62) | CYP2C9KCNH2ALDH1A1KDM4EMAPT | |
| SCHEMBL1377062 | 0.81 | CYP2C9 (0.77) | CYP2C9KCNH2ALDH1A1KDM4EMAPT | |
| SCHEMBL1375804 | 0.81 | KCNH2 (0.63) | CYP2C9KCNH2ALDH1A1KDM4EMAPT | |
| SCHEMBL1379702 | 0.80 | CYP2C9 (0.76) | CYP2C9KCNH2ALDH1A1MAPTCALCA | |
| SCHEMBL1750993 | 0.80 | CYP2C9 (0.76) | CYP2C9KCNH2ALDH1A1KDM4EMAPT | |
| SCHEMBL1379153 | 0.80 | CYP2C9 (0.76) | CYP2C9KCNH2MAPTLMNACALCA | |
| SCHEMBL14097959 | 0.79 | CYP2C9 (0.58) | CYP2C9KCNH2MAPTLMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4733986-B2 | — | — | 2011-07-27 | — | — | JP | claimed |
| EP-1578748-A1 | TETRAHYDRO-4H-PYRIDO [1, 2-A] PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) | 2005-09-28 | — | — | EP | claimed |
| WO-2004058756-A1 | TETRAHYDRO-4H-PYRIDO[1,2-A]PYRIMIDINES AND RELATED COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2004-07-15 | — | — | WO | claimed |