Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | PI4KA | P42356 | 1/20 | 0.42 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.42 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.42 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.41 |
| ▸ | CASP1 | P29466 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL16014015 | 0.76 | CYP3A4 (0.58) | CYP3A4ALDH1A1KDM4EMAPTCYP1A2 | |
| SCHEMBL1248587 | 0.75 | MAPT (0.58) | CYP3A4ALDH1A1KDM4EMAPTCYP1A2 | |
| SCHEMBL29726025 | 0.74 | ALDH1A1 (0.61) | CYP3A4ALDH1A1KDM4EMAPTCYP1A2 | |
| SCHEMBL50867 | 0.74 | ALDH1A1 (0.61) | CYP3A4ALDH1A1KDM4EMAPTCYP1A2 | |
| SCHEMBL6590920 | 0.74 | CYP3A4 (0.61) | CYP3A4ALDH1A1KDM4EMAPTCYP1A2 | |
| SCHEMBL24621855 | 0.73 | CYP3A4 (0.50) | CYP3A4ALDH1A1KDM4EMAPTCYP1A2 | |
| SCHEMBL31192155 | 0.73 | KDM4E (0.50) | CYP3A4ALDH1A1KDM4EMAPTCYP1A2 | |
| SCHEMBL29066655 | 0.73 | ALDH1A1 (0.58) | CYP3A4ALDH1A1KDM4EMAPTCYP1A2 | |
| SCHEMBL31733917 | 0.73 | ALDH1A1 (0.58) | CYP3A4ALDH1A1KDM4EMAPTCYP1A2 | |
| SCHEMBL29471812 | 0.73 | ALDH1A1 (0.58) | CYP3A4ALDH1A1KDM4EMAPTCYP1A2 |
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-0471750-A1 | HETEROCYCLIC N-OXIDE DERIVATIVES OF SUBSTITUTED BENZO 5,6]CYCLOHEPTAPYRIDINES, COMPOSITIONS AND METHODS OF USE | SCHERING CORPORATION (US) | 1992-02-26 | — | — | EP | disclosed |
| WO-1990013548-A1 | HETEROCYCLIC N-OXIDE DERIVATIVES OF SUBSTITUTED BENZO[5,6]CYCLOHEPTAPYRIDINES, COMPOSITIONS AND METHODS OF USE | SCHERING CORPORATION (US) | 1990-11-15 | — | — | WO | disclosed |