Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | MGAM | O43451 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SI | P14410 | 1/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL1819570 | 0.83 | BACE1 (0.44) | CYP1A2TSHRBACE1KMT2AMEN1 | |
| SCHEMBL475205 | 0.77 | CYP1A2 (0.72) | CYP1A2TSHRKMT2AMEN1ALDH1A1 | |
| SCHEMBL475201 | 0.77 | CYP1A2 (0.72) | CYP1A2TSHRKMT2AMEN1ALDH1A1 | |
| SCHEMBL260657 | 0.76 | CYP1A2 (0.40) | CYP1A2TSHRKMT2AMEN1MAPT | |
| SCHEMBL148211 | 0.76 | MAPT (0.68) | TSHRKMT2AMEN1MAPTPKM | |
| SCHEMBL260240 | 0.75 | FBP1 (0.41) | CYP1A2TSHRKMT2AMEN1MAPT | |
| SCHEMBL4656906 | 0.74 | CYP1A2 (0.52) | CYP1A2TSHRKMT2AMEN1MAPT | |
| SCHEMBL28915757 | 0.74 | CLK1 (0.43) | CYP1A2BACE1KMT2AMEN1MAPT | |
| SCHEMBL20120119 | 0.73 | SMN1; SMN2 (0.59) | TSHRBACE1KMT2AMEN1MAPT | |
| SCHEMBL20120121 | 0.73 | DNA2 (0.56) | TSHRBACE1GPR84CDK2CLK1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |