Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERCC5 | P28715 | 1/20 | 0.51 |
| ▸ | FEN1 | P39748 | 1/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL10792396 | 0.85 | ERCC5 (0.51) | ERCC5FEN1CES2CES1ALDH1A1 | |
| SCHEMBL15979733 | 0.84 | CES2 (0.62) | ERCC5FEN1CES2CES1ALDH1A1 | |
| SCHEMBL20508903 | 0.84 | ERCC5 (0.50) | ERCC5FEN1CES2CES1ALDH1A1 | |
| SCHEMBL27880348 | 0.83 | ERCC5 (0.53) | ERCC5FEN1CES2CES1ALDH1A1 | |
| SCHEMBL30531879 | 0.83 | ERCC5 (0.58) | ERCC5FEN1CES2CES1ALDH1A1 | |
| SCHEMBL23515028 | 0.81 | HDAC3 (0.56) | ERCC5FEN1CES2CES1ALDH1A1 | |
| SCHEMBL6680586 | 0.81 | HPGD (0.58) | ERCC5FEN1CES2CES1ALDH1A1 | |
| SCHEMBL5544579 | 0.81 | ERCC5 (0.51) | ERCC5FEN1CES2CES1ALDH1A1 | |
| SCHEMBL5661990 | 0.81 | ERCC5 (0.51) | ERCC5FEN1CES2CES1ALDH1A1 | |
| SCHEMBL12430463 | 0.80 | ERCC5 (0.58) | ERCC5FEN1CES2CES1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4352811-A | NEUROLEPTIC AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1982-10-05 | — | — | US | disclosed |
| US-4282222-A | 3-Piperidino or apiperazino-1-phenyl or 1-substituted phenyl isoquinoline and antidepressant compositions thereof | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-08-04 | — | — | US | disclosed |