Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 4/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CMA1 | P23946 | 1/20 | 0.35 |
| ▸ | DHPS | P49366 | 1/20 | 0.34 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.32 |
| ▸ | OGT | O15294 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL260031 | 0.72 | NPC1 (0.43) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL260373 | 0.71 | CALCRL (0.40) | MEN1KMT2ACMA1CRBN | |
| SCHEMBL259921 | 0.70 | CALCRL (0.44) | ADRB2ADRB1HTR1AOPRK1CMA1 | |
| SCHEMBL261481 | 0.65 | NPC1 (0.44) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL261260 | 0.65 | CALCRL (0.37) | HTR1AMEN1KMT2ACMA1CRBN | |
| SCHEMBL261302 | 0.65 | CALCRL (0.38) | OPRK1MEN1KMT2AMAPT | |
| Bicarbonate SCHEMBL9232742 | 0.63 | NPC1 (0.85) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL27691793 | 0.63 | ADRB2 (0.41) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| Oxalic Acid SCHEMBL8183265 | 0.62 | NPC1 (0.81) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| Trifluoroacetic Acid SCHEMBL526603 | 0.60 | NPC1 (0.71) | NPC1MAPK13MAPK12MAPK11MAPK14 |
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 |
|---|---|---|---|---|---|---|---|
| US-8163752-B2 | Tricyclic anilide heterocyclic CGRP receptor antagonists | Merck, Sharp & Dohme Corp. (US) | 2012-04-24 | — | — | US | disclosed |
| US-8133891-B2 | Tricyclic anilide spirolactam CGRP receptor antagonists | Merck, Sharp & Dohme Corp. (US) | 2012-03-13 | — | — | US | disclosed |
| US-7968540-B2 | Spirohydantoin tricyclic CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-06-28 | — | — | US | disclosed |
| US-7947677-B2 | Spirolactam tricyclic CGRP receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2011-05-24 | — | — | US | disclosed |