Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 3/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NR1D1 | P20393 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17986575 | 1.00 | HDAC1 (0.40) | HDAC1HDAC6MAPTTP53THRB | |
| SCHEMBL17986574 | 1.00 | HDAC1 (0.40) | HDAC1HDAC6MAPTTP53THRB | |
| SCHEMBL16620107 | 0.92 | NPSR1 (0.36) | TP53THRBHTTSMN1; SMN2NPSR1 | |
| SCHEMBL21278208 | 0.92 | NPSR1 (0.36) | TP53THRBHTTSMN1; SMN2NPSR1 | |
| SCHEMBL18017432 | 0.92 | NPSR1 (0.36) | TP53THRBHTTSMN1; SMN2NPSR1 | |
| SCHEMBL16620104 | 0.92 | NPSR1 (0.36) | TP53THRBHTTSMN1; SMN2NPSR1 | |
| SCHEMBL16629717 | 0.91 | HDAC1 (0.38) | HDAC1HDAC6MAPTTP53THRB | |
| SCHEMBL17986558 | 0.91 | HDAC1 (0.38) | HDAC1HDAC6MAPTTP53THRB | |
| SCHEMBL18210792 | 0.91 | HDAC1 (0.38) | HDAC1HDAC6MAPTTP53THRB | |
| SCHEMBL16618957 | 0.91 | HDAC1 (0.38) | HDAC1HDAC6MAPTTP53THRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-3052099-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | Merck Sharp & Dohme Corp. (US) | 2016-08-10 | — | — | EP | disclosed |
| WO-2015050798-A1 | NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2015-04-09 | — | — | WO | disclosed |