Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | F2R | P25116 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7987842 | 0.89 | CES2 (0.47) | USP2KDM4EALDH1A1CES2CES1 | |
| SCHEMBL7990893 | 0.86 | USP2 (0.38) | USP2KDM4EALDH1A1GAATP53 | |
| SCHEMBL7973452 | 0.81 | NPC1 (0.39) | ALDH1A1HPGDHTTF2RNPC1 | |
| SCHEMBL7990928 | 0.81 | HPGD (0.44) | ALDH1A1CES2CES1LMNAHPGD | |
| SCHEMBL7973394 | 0.80 | CA12 (0.39) | USP2KDM4EALDH1A1GAAALOX15 | |
| SCHEMBL7973353 | 0.80 | SLC6A2 (0.36) | CA12CA9 | |
| SCHEMBL7987106 | 0.79 | CTSD (0.46) | ALDH1A1LMNAHPGDTP53HTT | |
| SCHEMBL7991022 | 0.78 | CES2 (0.50) | KDM4EALDH1A1CES2CES1GAA | |
| SCHEMBL7984830 | 0.78 | HCRTR1 (0.49) | KDM4EALDH1A1GAALMNAHPGD | |
| SCHEMBL7973495 | 0.77 | NPSR1 (0.46) | ALDH1A1CES2CES1GAALMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-6331628-B1 | REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2001-12-18 | — | — | US | disclosed |