Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.71 |
| ▸ | EPHX1 | P07099 | 7/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7623949 | 1.00 | SIGMAR1 (0.71) | SIGMAR1EPHX1POLBCHRM5CHRM3 | |
| SCHEMBL250080 | 0.88 | SIGMAR1 (0.91) | SIGMAR1EPHX1ALDH1A1CYP3A4NPC1 | |
| SCHEMBL20185673 | 0.82 | SIGMAR1 (0.53) | SIGMAR1EPHX1CHRM5CHRM3KDM4E | |
| SCHEMBL20185674 | 0.82 | SIGMAR1 (0.53) | SIGMAR1EPHX1CHRM5CHRM3KDM4E | |
| Piperazine SCHEMBL28204588 | 0.80 | SIGMAR1 (0.54) | SIGMAR1EPHX1CHRM5CHRM3ALDH1A1 | |
| SCHEMBL6155365 | 0.80 | SIGMAR1 (0.76) | SIGMAR1EPHX1ALDH1A1CYP3A4NPC1 | |
| SCHEMBL18230710 | 0.80 | SIGMAR1 (0.50) | SIGMAR1EPHX1CHRM5CHRM3 | |
| SCHEMBL18230709 | 0.80 | SIGMAR1 (0.50) | SIGMAR1EPHX1CHRM5CHRM3 | |
| SCHEMBL6154078 | 0.77 | SIGMAR1 (0.70) | SIGMAR1EPHX1ALDH1A1CYP3A4NPC1 | |
| SCHEMBL18740827 | 0.76 | SIGMAR1 (0.68) | SIGMAR1EPHX1ALDH1A1CYP3A4NPC1 |
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-6455700-B1 | THERAPY FOR NEUROKININ SENSITIVE DISEASE | BOEHRINGER INGELHEIM PHARMA KG. (DE) | 2002-09-24 | — | — | US | disclosed |
| EP-1086088-A2 | NOVEL NEUROKININ ANTAGONISTS, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS | Boehringer Ingelheim Pharma KG (DE) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999062893-A2 | NOVEL NEUROKININ ANTAGONISTS, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-12-09 | — | — | WO | disclosed |