Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 8/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27285044 | 0.80 | TRPV3 (0.55) | CYP19A1LMNAKDM4EALDH1A1CYP1A2 | |
| SCHEMBL27135558 | 0.80 | MAPT (0.42) | CYP3A4CYP2C19LMNAKDM4EALDH1A1 | |
| SCHEMBL15661361 | 0.79 | PDE4B (0.61) | PDE4BCYP3A4CYP2C19LMNAKDM4E | |
| SCHEMBL2299616 | 0.79 | KMO (0.44) | CYP1A2MAPTKMT2AKMODYRK1A | |
| SCHEMBL17826980 | 0.79 | CNR2 (0.47) | PDE4BCYP3A4CYP2C19CYP19A1KDM4E | |
| SCHEMBL2666351 | 0.79 | CYP19A1 (0.51) | CYP19A1TSHRMAP4K4MAPTRAB9A | |
| SCHEMBL8344326 | 0.78 | CYP19A1 (0.54) | CYP19A1KDM4EALDH1A1TSHRDHFR | |
| SCHEMBL28483259 | 0.76 | KMO (0.59) | CYP19A1KDM4ETSHRMAP4K4MAPT | |
| SCHEMBL30271753 | 0.76 | CYP19A1 (0.51) | CYP19A1TSHRDHFRMAP4K4MAPT | |
| SCHEMBL16629543 | 0.76 | CTSS (0.50) | PDE4BCYP3A4CYP2C19KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104768932-A | Heteroaryl inhibitors of PDE4 | TETRA DISCOVERY PARTNERS LLC | 2015-07-08 | — | — | CN | disclosed |