Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 7/20 | 0.50 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | IDH1 | O75874 | 1/20 | 0.45 |
| ▸ | PDE5A | O76074 | 1/20 | 0.45 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | PDE1A | P54750 | 1/20 | 0.45 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.45 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6856603 | 0.90 | MTNR1A (0.59) | MTNR1AMTNR1BCYP1A2CYP2A6IDH1 | |
| SCHEMBL3327733 | 0.83 | HTR2A (0.63) | MTNR1AMTNR1BHTR2A | |
| SCHEMBL12277498 | 0.80 | CYP2A6 (0.62) | CYP1A2CYP2A6KDM4EALDH1A1 | |
| SCHEMBL3137389 | 0.80 | CYP2A6 (0.62) | CYP1A2CYP2A6KDM4EALDH1A1 | |
| SCHEMBL12259995 | 0.80 | CYP2A6 (0.62) | CYP1A2CYP2A6KDM4EALDH1A1 | |
| SCHEMBL12405206 | 0.80 | PTGS1 (0.54) | MTNR1AMTNR1BCYP1A2CYP2A6KDM4E | |
| SCHEMBL28019903 | 0.79 | KDM4E (0.46) | KDM4EALDH1A1CYP11B1CYP11B2PDE5A | |
| SCHEMBL12473666 | 0.79 | CYP1A2 (0.69) | CYP1A2CYP2A6KDM4EALDH1A1CYP11B1 | |
| SCHEMBL12277720 | 0.79 | CYP1A2 (0.69) | CYP1A2CYP2A6KDM4EALDH1A1CYP11B1 | |
| SCHEMBL27902298 | 0.78 | CYP2A6 (0.65) | CYP1A2CYP2A6KDM4EALDH1A1 |
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-6794384-B1 | Hydroxylation activated drug release | DE MONTFORT UNIVERSITY (GB) | 2004-09-21 | — | — | US | disclosed |
| EP-1069915-B1 | HYDROXYLATION ACTIVATED DRUG RELEASE | UNIV MONTFORT (GB) | 2003-06-25 | — | — | EP | disclosed |
| EP-1069915-A2 | HYDROXYLATION ACTIVATED DRUG RELEASE | DE MONTFORT UNIVERSITY (GB) | 2001-01-24 | — | — | EP | disclosed |
| WO-1999040944-A2 | HYDROXYLATION ACTIVATED DRUG RELEASE | DE MONTFORT UNIVERSITY (GB) | 1999-08-19 | — | — | WO | disclosed |