Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | CD44 | P16070 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 3/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL29710285 | 0.87 | PNMT (0.66) | PNMTCD44MAOBKDM1A | |
| 1,2,3,4-Tetrahydroisoquinoline SCHEMBL1788708 | 0.87 | PNMT (0.66) | PNMTCD44MAOBKDM1A | |
| Trifluoroacetic Acid SCHEMBL3430565 | 0.82 | AHR (0.46) | KDM1AKDM4EALDH1A1LMNAMAPT | |
| Trifluoroacetic Acid SCHEMBL5451230 | 0.80 | HTR2C (0.61) | PNMTCES1CD44MAOBKDM1A | |
| Trifluoroacetic Acid SCHEMBL383916 | 0.79 | ABHD6 (0.40) | PNMTCD44KDM1A | |
| Trifluoroacetic Acid SCHEMBL382794 | 0.78 | ITGB3 (0.36) | KDM1AKDM4EALDH1A1MAPTHPGD | |
| Trifluoroacetic Acid SCHEMBL566652 | 0.78 | PNMT (0.50) | PNMTKDM1A | |
| Trifluoroacetic Acid SCHEMBL8397553 | 0.78 | KDM1A (0.33) | KDM1A | |
| Trifluoroacetic Acid SCHEMBL5708755 | 0.78 | KDM1A (0.49) | KDM1A | |
| Trifluoroacetic Acid SCHEMBL21381796 | 0.77 | CES1 (0.47) | CES1KDM1ASLC6A2SLC6A4SLC6A3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008041037-A1 | FUSED INDOLES AND INDAZOLES AS INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2008-04-10 | — | — | WO | disclosed |