Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | MIF | P14174 | 1/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.33 |
| ▸ | KLK1 | P06870 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.32 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8206437 | 0.91 | ADRB2 (0.41) | ADRB2ALDH1A1KDM4EMAPK1POLB | |
| SCHEMBL12853419 | 0.88 | ADRB2 (0.39) | ADRB2ALDH1A1KDM4EPOLBMIF | |
| SCHEMBL12853417 | 0.88 | ADRB2 (0.39) | ADRB2ALDH1A1KDM4EMAPTACSS2 | |
| SCHEMBL8211564 | 0.84 | ADRB2 (0.41) | ADRB2ALDH1A1KDM4EMAPK1POLB | |
| SCHEMBL8201002 | 0.83 | CYP11B1 (0.42) | ADRB2ALDH1A1NPSR1 | |
| SCHEMBL8198824 | 0.83 | ADRB2 (0.41) | ADRB2ALDH1A1KDM4EMAPK1POLB | |
| SCHEMBL8205940 | 0.82 | ADRB2 (0.43) | ADRB2ALDH1A1KDM4EMAPK1POLB | |
| SCHEMBL8206405 | 0.81 | ADRB2 (0.38) | ADRB2ALDH1A1KDM4EPOLBMIF | |
| SCHEMBL8211521 | 0.81 | ADRB2 (0.57) | ADRB2ALDH1A1KDM4EPOLBKLKB1 | |
| SCHEMBL8201496 | 0.80 | ADRB2 (0.44) | ADRB2ALDH1A1KDM4EMAPK1HDAC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2132178-B1 | JNK INHIBITORS | MERCK SHARP & DOHME (US) | 2015-08-19 | — | — | EP | disclosed |