Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | MAPK3 | P27361 | 3/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | CKS1B | P61024 | 1/20 | 0.40 |
| ▸ | SKP1 | P63208 | 1/20 | 0.40 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PTBP1 | P26599 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5037820 | 0.80 | KMT2A (0.44) | CTSSCTSKNQO2ALDH1A1LMNA | |
| SCHEMBL15584401 | 0.76 | NQO2 (0.43) | MTNR1AMTNR1BNQO2CKS1BSKP1 | |
| SCHEMBL16499930 | 0.76 | CKS1B (0.42) | MTNR1AMTNR1BNQO2CKS1BSKP1 | |
| SCHEMBL28824481 | 0.76 | MAPK3 (0.49) | MAPK3MTNR1AMTNR1BCKS1BSKP1 | |
| SCHEMBL15283620 | 0.76 | CKS1B (0.50) | CTSSMTNR1AMTNR1BNQO2CKS1B | |
| SCHEMBL5729170 | 0.75 | CTSS (0.54) | CTSSCTSKNQO2KDM4ELMNA | |
| SCHEMBL7578637 | 0.73 | MTNR1A (0.46) | MTNR1AMTNR1BNQO2CKS1BSKP1 | |
| SCHEMBL15584389 | 0.73 | MAPT (0.47) | MTNR1AMTNR1BNQO2CKS1BSKP1 | |
| SCHEMBL16444538 | 0.73 | SMN1; SMN2 (0.47) | CKS1BSKP1SKP2KDM4ENPC1 | |
| SCHEMBL16444539 | 0.73 | SMN1; SMN2 (0.47) | CKS1BSKP1SKP2KDM4ENPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5998415-A | Bicyclic heteroaryl-alkylene-(homo)piperazinones and thione analogues thereof, their preparation, and their use of as selective agonists of 5-HT1 -like receptors | MERCK SHARP & DOHME LTD. (GB) | 1999-12-07 | — | — | US | disclosed |