Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 7/20 | 0.48 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | NPY1R | P25929 | 1/20 | 0.43 |
| ▸ | NPY2R | P49146 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11405358 | 0.86 | SIGMAR1 (0.54) | SIGMAR1ALDH1A1NPSR1MAPTMEN1 | |
| SCHEMBL6719185 | 0.85 | SIGMAR1 (0.56) | SIGMAR1ALDH1A1NPSR1MAPTMEN1 | |
| SCHEMBL11140664 | 0.84 | ALDH1A1 (0.58) | SIGMAR1ALDH1A1NPSR1MAPTMEN1 | |
| SCHEMBL11276279 | 0.84 | MAPT (0.55) | SIGMAR1ALDH1A1NPSR1MAPTMEN1 | |
| SCHEMBL31091544 | 0.81 | ALDH1A1 (0.59) | SIGMAR1ALDH1A1NPSR1MAPTMEN1 | |
| SCHEMBL18324579 | 0.81 | SIGMAR1 (0.59) | SIGMAR1ALDH1A1NPSR1MAPTMEN1 | |
| SCHEMBL15349132 | 0.81 | ALDH1A1 (0.59) | SIGMAR1ALDH1A1NPSR1MAPTMEN1 | |
| SCHEMBL11883528 | 0.81 | MEN1 (0.56) | ALDH1A1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL30498591 | 0.81 | MEN1 (0.56) | ALDH1A1MEN1KMT2ANPC1RAB9A | |
| SCHEMBL11883565 | 0.81 | NPC1 (0.43) | SIGMAR1ALDH1A1MEN1KMT2ANPC1 |
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 4 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 | disclosed |
| 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 | disclosed |
| 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 | disclosed |
| US-3976643-A | FROM AN ANILINE AND CYANAMIDE | WILLIAM H. RORER, INC. (US) | 1976-08-24 | — | — | US | disclosed |