Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | SRC | P12931 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PRNP | P04156 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | UGT2B7 | P16662 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL27947346 | 0.83 | TSHR (0.52) | ALDH1A1PTGS2CYP2D6SRCPPARG | |
| Naphthalene SCHEMBL8164671 | 0.82 | LMNA (0.45) | ALDH1A1PTGS2CYP2D6SRCKDM4E | |
| Naphthalene SCHEMBL28289269 | 0.82 | TP53 (0.58) | ALDH1A1PTGS2CYP2D6SRCKDM4E | |
| Chlorobenzene SCHEMBL27930511 | 0.81 | TSHR (0.50) | ALDH1A1PTGS2CYP2D6SRCPPARG | |
| Naphthalene SCHEMBL699807 | 0.80 | TAAR1 (0.46) | ALDH1A1PTGS2CYP2D6SRCKDM4E | |
| Naphthalene SCHEMBL699808 | 0.80 | TAAR1 (0.46) | ALDH1A1PTGS2CYP2D6SRCKDM4E | |
| Phenol SCHEMBL27800224 | 0.79 | CA12 (0.48) | ALDH1A1PTGS2CYP2D6SRCKDM4E | |
| SCHEMBL10716486 | 0.79 | PTGS2 (0.52) | PTGS2LMNACYP1A2GAACYP2C9 | |
| Naphthalene SCHEMBL9080630 | 0.78 | PTGS2 (0.42) | ALDH1A1PTGS2CYP2D6SRCKDM4E | |
| Naphthalene SCHEMBL28460931 | 0.78 | CYP2A6 (0.57) | ALDH1A1KDM4ELMNACYP2A6ALOX12 |
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-101048419-A | Ligands for Asymmetric Hydroformylation | BASF AG (DE) | 2007-10-03 | — | — | CN | disclosed |