Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 3/20 | 0.36 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.36 |
| ▸ | TOP2A | P11388 | 1/20 | 0.36 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2209326 | 1.00 | NPC1 (0.40) | NPC1RAB9AALDH1A1SYKELANE | |
| SCHEMBL2209313 | 0.93 | NPC1 (0.39) | NPC1RAB9AALDH1A1SYKELANE | |
| SCHEMBL2209317 | 0.93 | NPC1 (0.39) | NPC1RAB9AALDH1A1SYKELANE | |
| SCHEMBL4804689 | 0.80 | POLB (0.43) | NPC1RAB9ASYKELANETOP2A | |
| SCHEMBL4804680 | 0.80 | POLB (0.43) | NPC1RAB9ASYKELANETOP2A | |
| SCHEMBL2212854 | 0.77 | NPC1 (0.43) | NPC1RAB9AALDH1A1SYKTOP2A | |
| SCHEMBL2212851 | 0.77 | NPC1 (0.43) | NPC1RAB9AALDH1A1SYKTOP2A | |
| SCHEMBL16817030 | 0.77 | BACE1 (0.45) | NPC1RAB9AALDH1A1SMN1; SMN2BACE1 | |
| SCHEMBL16817029 | 0.77 | BACE1 (0.45) | NPC1RAB9AALDH1A1SMN1; SMN2BACE1 | |
| SCHEMBL4875793 | 0.77 | ELANE (0.41) | NPC1RAB9ASYKELANETOP2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2013214-B1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2015-06-24 | — | — | EP | disclosed |
| EP-2013213-B1 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2011-07-27 | — | — | EP | disclosed |
| EP-2013213-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | Brystol-Myers Squibb Company (US) | 2009-01-14 | — | — | EP | disclosed |
| EP-2013214-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007130927-A2 | CONDENSED TRICYCLIC COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-15 | — | — | WO | disclosed |
| WO-2007131020-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-15 | — | — | WO | disclosed |