Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | USP28 | Q96RU2 | 1/20 | 0.40 |
| ▸ | USP25 | Q9UHP3 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | PTGER1 | P34995 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17437909 | 0.86 | PTGER1 (0.43) | CCR5LMNAMAPK14PTGER1CYP1A2 | |
| SCHEMBL24247689 | 0.75 | MAPK14 (0.43) | CCR5ALDH1A1USP28USP25RAB9A | |
| SCHEMBL19150117 | 0.74 | MAPT (0.40) | LMNASMPD1HDAC1HDAC8HDAC6 | |
| SCHEMBL17437885 | 0.73 | NOTUM (0.43) | LMNASMPD1HDAC1HDAC8HDAC6 | |
| SCHEMBL17437984 | 0.73 | MAPT (0.44) | ALDH1A1RAB9ALMNASMPD1HDAC1 | |
| SCHEMBL17452530 | 0.72 | HTR1A (0.42) | RAB9ALMNASMPD1HDAC1HDAC8 | |
| SCHEMBL17454421 | 0.70 | TDP1 (0.54) | ALDH1A1RAB9APTGER1TDP1L3MBTL1 | |
| SCHEMBL17452655 | 0.70 | TDP1 (0.43) | ALDH1A1PTGER1CYP1A2TDP1L3MBTL1 | |
| SCHEMBL17437835 | 0.70 | XDH (0.42) | ALDH1A1LMNASMPD1HDAC1HDAC8 | |
| SCHEMBL17437848 | 0.70 | KDM4E (0.45) | ALDH1A1LMNASMPD1HDAC1HDAC8 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019014308-A1 | 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-01-17 | — | — | WO | disclosed |