Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CALCRL | Q16602 | 2/20 | 0.32 |
| ▸ | PDE7A | Q13946 | 5/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.31 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.31 |
| ▸ | CHRNG | P07510 | 1/20 | 0.31 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | CHRND | Q07001 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RAMP1 | O60894 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | PLA2G7 | Q13093 | 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 | |
|---|---|---|---|---|
| SCHEMBL979336 | 1.00 | ALDH1A1 (0.34) | ALDH1A1CALCRLPDE7AKMT2ASLC6A3 | |
| SCHEMBL979164 | 1.00 | ALDH1A1 (0.34) | ALDH1A1CALCRLPDE7AKMT2ASLC6A3 | |
| SCHEMBL979012 | 0.98 | CALCRL (0.33) | ALDH1A1CALCRLPDE7ASLC6A3CHRNA1 | |
| SCHEMBL1066821 | 0.98 | CALCRL (0.33) | ALDH1A1CALCRLPDE7ASLC6A3CHRNA1 | |
| SCHEMBL978109 | 0.98 | CALCRL (0.33) | ALDH1A1CALCRLPDE7ASLC6A3CHRNA1 | |
| SCHEMBL12948266 | 0.81 | CHRNA1 (0.34) | SLC6A3CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL12028354 | 0.78 | S1PR1 (0.31) | SLC6A3SLC6A2S1PR1SLC6A4 | |
| SCHEMBL12028347 | 0.76 | HCAR3 (0.31) | SLC6A3CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL976575 | 0.75 | ADAMTS5 (0.34) | SLC6A3CHRNA1CHRNGCHRNB1CHRNB2 | |
| SCHEMBL1273419 | 0.73 | HCAR3 (0.33) | SLC6A3CHRNA1CHRNGCHRNB1CHRNB2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2029575-B1 | SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME (US) | 2014-10-22 | — | — | EP | disclosed |
| EP-2271346-A2 | MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | Merck Sharp & Dohme Corp. (US) | 2011-01-12 | — | — | EP | disclosed |
| WO-2009120652-A2 | MONOCYCLIC CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2009-10-01 | — | — | WO | disclosed |