Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.57 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL9377300 | 0.91 | DRD2 (0.53) | SIGMAR1MEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL8091568 | 0.91 | MEN1 (0.54) | SIGMAR1MEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL8097197 | 0.88 | NAAA (0.55) | SIGMAR1MEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL8092966 | 0.88 | ALDH1A1 (0.64) | SIGMAR1TSHRKMT2AALDH1A1LMNA | |
| SCHEMBL3878560 | 0.87 | CCR1 (0.58) | MEN1KMT2APOLBCACNA1GCACNA1H | |
| SCHEMBL17117487 | 0.86 | POLB (0.61) | SIGMAR1POLBCACNA1GCACNA1HMAPT | |
| SCHEMBL8091251 | 0.85 | SIGMAR1 (0.54) | SIGMAR1ALDH1A1LMNANPC1RAB9A | |
| SCHEMBL8902078 | 0.84 | ALDH1A1 (0.55) | SIGMAR1TP53POLBALDH1A1LMNA | |
| SCHEMBL26113012 | 0.84 | POLB (0.59) | SIGMAR1POLBCACNA1GCACNA1HMAPT | |
| SCHEMBL26107974 | 0.84 | POLB (0.59) | SIGMAR1POLBCACNA1GCACNA1HMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-6057371-A | TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS, DRUG ABUSE, ANGINA, MIGRAINE, HYPERTENSION AND DEPRESSION | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 2000-05-02 | — | — | US | claimed |
| EP-0591426-A1 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1994-04-13 | — | — | EP | claimed |
| WO-1993000313-A2 | SIGMA RECEPTOR LIGANDS AND THE USE THEREOF | VIRGINIA COMMONWEALTH UNIVERSITY (US) | 1993-01-07 | — | — | WO | claimed |