Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 11/20 | 0.33 |
| ▸ | NOS2 | P35228 | 11/20 | 0.33 |
| ▸ | NOS3 | P29474 | 10/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PTAFR | P25105 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 4/20 | 0.32 |
| ▸ | CNR2 | P34972 | 4/20 | 0.32 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL17224432 | 0.72 | MAPK10 (0.38) | — | |
| Hydrochloric Acid SCHEMBL4049403 | 0.70 | KDM4E (0.33) | NOS1NOS2NOS3KDM4EMAPT | |
| SCHEMBL17224458 | 0.68 | AR (0.40) | — | |
| SCHEMBL17224438 | 0.68 | HTR1A (0.32) | — | |
| SCHEMBL28517116 | 0.66 | SLC6A4 (0.55) | — | |
| SCHEMBL12483460 | 0.65 | KDM4E (0.47) | KDM4EMAPTTDP1CNR1CNR2 | |
| SCHEMBL19169604 | 0.65 | AR (0.41) | KDM4EMAPTTDP1 | |
| SCHEMBL4049394 | 0.64 | HTR2C (0.55) | MAPT | |
| SCHEMBL14013151 | 0.63 | SLC6A4 (0.40) | NOS1NOS2NOS3KDM4ECNR1 | |
| SCHEMBL13525469 | 0.62 | AR (0.46) | — |
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-2013214-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007131020-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-15 | — | — | WO | disclosed |