Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | F10 | P00742 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MGAT2 | Q10469 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL395837 | 0.90 | NPC1 (0.52) | NPC1RAB9AROCK2MAOBCASP3 | |
| SCHEMBL27706685 | 0.80 | CA12 (0.45) | NPC1RAB9AROCK2MAOBCASP3 | |
| SCHEMBL473143 | 0.76 | NPC1 (0.59) | NPC1RAB9AROCK2MAOBCASP3 | |
| SCHEMBL10062905 | 0.76 | MGLL (0.56) | NPC1RAB9AROCK2MAOBCASP3 | |
| SCHEMBL6558433 | 0.76 | NPC1 (0.52) | NPC1RAB9AROCK2MAOBCASP3 | |
| SCHEMBL473173 | 0.73 | MGLL (0.53) | NPC1RAB9AROCK2MAOBCASP3 | |
| SCHEMBL10062939 | 0.72 | ROCK2 (0.66) | NPC1RAB9AROCK2MAOBCASP3 | |
| SCHEMBL473221 | 0.71 | NPC1 (0.61) | NPC1RAB9AROCK2MAOBCASP3 | |
| SCHEMBL17420472 | 0.70 | NPC1 (0.68) | NPC1RAB9AMAOBCASP3MGLL | |
| SCHEMBL8604173 | 0.70 | ALDH1A1 (0.51) | NPC1RAB9ACASP3ALDH1A1MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1765805-A4 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2009-08-26 | — | — | EP | disclosed |
| EP-1765805-A2 | CGRP RECEPTOR ANTAGONISTS | Merck & Co., Inc. (US) | 2007-03-28 | — | — | EP | disclosed |
| WO-2005072308-A9 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO INC (US) | 2006-02-02 | — | — | WO | disclosed |
| WO-2005072308-A2 | CGRP RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 2005-08-11 | — | — | WO | disclosed |