Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | TACR1 | P25103 | 1/20 | 0.47 |
| ▸ | CTSG | P08311 | 1/20 | 0.43 |
| ▸ | CMA1 | P23946 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6585842 | 1.00 | NPC1 (0.49) | NPC1RAB9ATACR1CTSGCMA1 | |
| SCHEMBL6585056 | 0.91 | NPC1 (0.48) | NPC1RAB9ATACR1CTSGCMA1 | |
| SCHEMBL6585066 | 0.91 | NPC1 (0.48) | NPC1RAB9ATACR1CTSGCMA1 | |
| SCHEMBL8169993 | 0.82 | TACR1 (0.47) | NPC1TACR1CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL6584594 | 0.82 | TACR1 (0.47) | NPC1TACR1CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL6587458 | 0.75 | TACR1 (0.42) | NPC1RAB9ATACR1CYP3A4CYP2D6 | |
| SCHEMBL6587469 | 0.75 | TACR1 (0.42) | NPC1RAB9ATACR1CYP3A4CYP2D6 | |
| SCHEMBL6583595 | 0.73 | TACR1 (0.47) | NPC1TACR1CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL6583594 | 0.73 | TACR1 (0.47) | NPC1TACR1CYP3A4CYP2D6SLC6A2 | |
| SCHEMBL20132988 | 0.72 | ALDH1A1 (0.56) | NPC1RAB9AKMT2ASMN1; SMN2LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0865430-B1 | 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS | ASTRAZENECA AB (SE) | 2004-03-03 | — | — | EP | disclosed |
| US-6090824-A | Therapeutic neurokinin receptor antagonist compounds | ZENECA LIMITED (GB) | 2000-07-18 | — | — | US | disclosed |