Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.46 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30678936 | 0.96 | ALOX5 (0.48) | ADRB2ADRB1ADRB3SIGMAR1HDAC1 | |
| SCHEMBL3786555 | 0.92 | TDP1 (0.50) | SIGMAR1TDP1KMT2ACA12CA1 | |
| SCHEMBL27413860 | 0.88 | CA1 (0.42) | ADRB2ADRB1ADRB3SIGMAR1CA1 | |
| SCHEMBL10578604 | 0.84 | HDAC1 (0.56) | ADRB2ADRB1ADRB3SIGMAR1TDP1 | |
| SCHEMBL1948655 | 0.82 | CA12 (0.50) | ADRB2ADRB1ADRB3MAPK1SMN1; SMN2 | |
| SCHEMBL6942862 | 0.81 | CA12 (0.46) | SIGMAR1CA12CA1CA7CA14 | |
| SCHEMBL28327204 | 0.80 | SYK (0.48) | KMT2AMAPK1SMN1; SMN2CA12CA1 | |
| SCHEMBL7083503 | 0.80 | HTT (0.55) | MAPK1SMN1; SMN2POLBIDO1 | |
| SCHEMBL9196120 | 0.79 | MAPT (0.56) | ADRB2ADRB1ADRB3TDP1KMT2A | |
| SCHEMBL7101278 | 0.79 | CA2 (0.41) | CA1IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105102448-B | Phenylpyrazole derivatives as ROCK1 and ROCK2 inhibitor | 百时美施贵宝公司 | 2018-03-06 | — | — | CN | disclosed |
| WO-2016095088-A1 | ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-06-23 | — | — | WO | disclosed |