Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.39 |
| ▸ | FBP1 | P09467 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | GRM8 | O00222 | 1/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL260240 | 0.85 | FBP1 (0.41) | CYP1A2TSHRMEN1KMT2APOLB | |
| SCHEMBL260830 | 0.80 | MGAM (0.42) | CYP1A2TSHRKMT2AMAPTAKR1C3 | |
| SCHEMBL260831 | 0.80 | MGAM (0.42) | CYP1A2TSHRKMT2AMAPTAKR1C3 | |
| SCHEMBL2884256 | 0.76 | APEX1 (0.43) | CYP1A2TSHRMEN1KMT2AMAPT | |
| SCHEMBL260294 | 0.76 | CYP1A2 (0.45) | CYP1A2TSHRMEN1KMT2AMAPT | |
| SCHEMBL261419 | 0.73 | LMNA (0.42) | TSHRMEN1KMT2AMAPTFBP1 | |
| SCHEMBL597398 | 0.71 | GPR17 (0.41) | MEN1KMT2AMAPTSMN1; SMN2TDP1 | |
| SCHEMBL6007713 | 0.71 | TDP1 (0.52) | TSHRMEN1KMT2APOLBMAPT | |
| SCHEMBL27691840 | 0.71 | BCL9 (0.46) | CYP1A2TSHRMEN1KMT2APOLB | |
| SCHEMBL4656906 | 0.69 | CYP1A2 (0.52) | CYP1A2TSHRMEN1KMT2AMAPT |
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 |