Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.54 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5461014 | 0.87 | SIGMAR1 (0.56) | SIGMAR1OPRK1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL21800143 | 0.84 | ALDH1A1 (0.53) | SIGMAR1OPRK1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL15272040 | 0.82 | SIGMAR1 (0.62) | SIGMAR1OPRK1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL27449203 | 0.82 | ALDH1A1 (0.51) | SIGMAR1OPRK1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30537979 | 0.79 | SIGMAR1 (0.58) | SIGMAR1OPRK1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL4446274 | 0.79 | SIGMAR1 (0.58) | SIGMAR1OPRK1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL28977512 | 0.76 | ALDH1A1 (0.64) | SIGMAR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL2651119 | 0.76 | TSHR (0.61) | SIGMAR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL296300 | 0.76 | TSHR (0.61) | SIGMAR1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17064454 | 0.75 | CRHBP (0.70) | OPRK1CYP1A2CYP2D6CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0555490-A1 | FACE-TO-FACE ORIENTED NONLINEAR OPTICAL MATERIAL AND METHOD OR ORIENTATION THEREOF | OSAKA GAS CO., LTD. (JP) | 1993-08-18 | — | — | EP | disclosed |