Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1808284 | 0.82 | KMT2A (0.41) | LMNAKMT2ACYP1A2ALDH1A1HTT | |
| SCHEMBL5678779 | 0.81 | ALDH1A1 (0.41) | KMT2ACYP1A2ALDH1A1HTTMEN1 | |
| SCHEMBL751159 | 0.78 | LMNA (0.38) | LMNAKMT2ACYP1A2ALDH1A1AKR1B1 | |
| SCHEMBL1806488 | 0.78 | POLB (0.39) | LMNAKMT2ACYP1A2ALDH1A1HTT | |
| SCHEMBL1809844 | 0.75 | POLB (0.38) | LMNAKMT2ACYP1A2ALDH1A1POLB | |
| SCHEMBL4245618 | 0.74 | RAB9A (0.51) | LMNAKMT2AALDH1A1AKR1B1KDM4E | |
| SCHEMBL1806489 | 0.73 | LMNA (0.38) | LMNAKMT2AALDH1A1AKR1B1POLB | |
| SCHEMBL6929009 | 0.72 | — | — | |
| SCHEMBL27572208 | 0.72 | KMT2A (0.50) | LMNAKMT2AALDH1A1MEN1CYP3A4 | |
| SCHEMBL3109943 | 0.72 | CYP1A2 (0.59) | LMNAKMT2ACYP1A2HTTAKR1B1 |
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-2595483-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012012314-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2012-01-26 | — | — | WO | disclosed |
| WO-2009124166-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2009-10-08 | — | — | WO | disclosed |