Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CXCR4 | P61073 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6309368 | 0.97 | KMT2A (0.44) | KMT2APOLBTDP1CXCR4ALDH1A1 | |
| SCHEMBL6302534 | 0.81 | TDP1 (0.37) | KMT2APOLBTDP1KDM4E | |
| SCHEMBL6305463 | 0.80 | CXCR4 (0.41) | KMT2APOLBCXCR4ALDH1A1SMN1; SMN2 | |
| SCHEMBL6305041 | 0.77 | KDM4C (0.36) | KMT2APOLBTDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL6309369 | 0.77 | CXCR4 (0.38) | KMT2APOLBCXCR4ALDH1A1CXCL12 | |
| SCHEMBL6302961 | 0.76 | ALDH1A1 (0.38) | KMT2APOLBTDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL6302334 | 0.75 | ALDH1A1 (0.37) | KMT2APOLBTDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL6309307 | 0.75 | CYP1A2 (0.36) | KMT2APOLBTDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL6309532 | 0.74 | ALDH1A1 (0.37) | KMT2APOLBTDP1ALDH1A1HDAC1 | |
| SCHEMBL6308791 | 0.74 | PARP1 (0.41) | POLBALDH1A1SMN1; SMN2KDM4E |
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-6949562-B2 | Heterocyclic compounds as ligands of the GABAA receptor | NEUROGEN CORPORATION (US) | 2005-09-27 | — | — | US | disclosed |