Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 9/20 | 1.00 |
| ▸ | GRIN2D | O15399 | 2/20 | 1.00 |
| ▸ | GRIN3B | O60391 | 2/20 | 1.00 |
| ▸ | GRIN1 | Q05586 | 2/20 | 1.00 |
| ▸ | GRIN2A | Q12879 | 2/20 | 1.00 |
| ▸ | GRIN2B | Q13224 | 2/20 | 1.00 |
| ▸ | GRIN2C | Q14957 | 2/20 | 1.00 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6720957 | 1.00 | SIGMAR1 (1.00) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL6154900 | 0.80 | SIGMAR1 (0.67) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL3068525 | 0.79 | SIGMAR1 (0.66) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL3058574 | 0.77 | SIGMAR1 (0.62) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL3076553 | 0.77 | SIGMAR1 (0.62) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL17710548 | 0.73 | SIGMAR1 (0.57) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL7610644 | 0.72 | EPHX2 (0.58) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL1604532 | 0.72 | SIGMAR1 (0.56) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL1606356 | 0.72 | SIGMAR1 (0.56) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A | |
| SCHEMBL2218573 | 0.72 | SIGMAR1 (0.56) | SIGMAR1GRIN2DGRIN3BGRIN1GRIN2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0532642-A4 | — | — | 1994-04-27 | — | — | EP | claimed |
| EP-0532642-A1 | SUBSTITUTED GUANIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF | STATE OF OREGON, acting through OREGON STATE BOARD OF HIGHER EDUCATION, acting for OREGON HEALTH SC. UNIV. AND UNIV. OF OREGON (US) | 1993-03-24 | — | — | EP | claimed |
| WO-1991018868-A1 | SUBSTITUTED GUANIDINES HAVING HIGH BINDING TO THE SIGMA RECEPTOR AND THE USE THEREOF | STATE OF OREGON, acting by and through the OREGON STATE BOARD OF HIGHER EDUCATION, acting for and onbehalf of the OREGON HEALTH SCIENCES UNIVERSITY (US) | 1991-12-12 | — | — | WO | claimed |