Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | RARA | P10276 | 1/20 | 0.30 |
| ▸ | RARB | P10826 | 1/20 | 0.30 |
| ▸ | RXRA | P19793 | 1/20 | 0.30 |
| ▸ | RXRB | P28702 | 1/20 | 0.30 |
| ▸ | RXRG | P48443 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28386848 | 0.81 | CYP1A2 (0.30) | CYP1A2CYP2D6HDAC3HDAC1HDAC2 | |
| SCHEMBL7007833 | 0.70 | MAPT (0.38) | KDM4EALDH1A1LMNAGAAMAPT | |
| Hydrochloric Acid SCHEMBL7004514 | 0.69 | MAPT (0.37) | KDM4EALDH1A1LMNAGAAMAPT | |
| Hydrochloric Acid SCHEMBL7004542 | 0.69 | MAPT (0.37) | KDM4EALDH1A1LMNAGAAMAPT | |
| SCHEMBL7451103 | 0.69 | CA12 (0.39) | LMNA | |
| SCHEMBL11818614 | 0.68 | HDAC6 (0.33) | KDM4ENPC1ALDH1A1MAPTRAB9A | |
| SCHEMBL30960181 | 0.66 | PKM (0.32) | KDM4E | |
| SCHEMBL15549945 | 0.65 | KDM4E (0.36) | CYP1A2CYP2D6KDM4ENPC1ALDH1A1 | |
| SCHEMBL7002550 | 0.63 | ALDH1A1 (0.38) | KDM4ENPC1ALDH1A1LMNAMAPT | |
| SCHEMBL4083532 | 0.62 | ALDH1A1 (0.40) | CYP1A2CYP2D6KDM4ENPC1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1067686-C | Fused polycyclic heterocycle derivatives | EISAI CO LTD (JP) | 2001-06-27 | — | — | CN | disclosed |
| CN-1185781-A | Fused Polycyclic Heterocyclic Derivatives | EISAI CO LTD (JP) | 1998-06-24 | — | — | CN | disclosed |