Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 3/20 | 0.43 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.43 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.43 |
| ▸ | ITGAL | P20701 | 2/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 2/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3941673 | 0.94 | CTSL (0.47) | CTSLHPGDSHDAC3HDAC4HDAC1 | |
| SCHEMBL13905561 | 0.94 | ITGB2 (0.45) | CTSLHPGDSHDAC3HDAC4HDAC1 | |
| SCHEMBL13905570 | 0.93 | CTSL (0.43) | CTSLHPGDSHDAC3HDAC4HDAC1 | |
| SCHEMBL3947824 | 0.92 | ITGB2 (0.48) | CTSLHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL13905574 | 0.92 | HPGDS (0.44) | CTSLHPGDSHDAC3HDAC4HDAC1 | |
| SCHEMBL13905578 | 0.91 | P2RY14 (0.43) | CTSLHPGDSHDAC3HDAC4HDAC1 | |
| SCHEMBL13905545 | 0.91 | ITGB2 (0.45) | CTSLHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL13905558 | 0.91 | TACR1 (0.46) | CTSLHPGDSHDAC3HDAC4HDAC1 | |
| SCHEMBL4037371 | 0.90 | ITGB2 (0.46) | CTSLHDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL13905591 | 0.90 | ITGB2 (0.47) | HDAC3HDAC4HDAC1HDAC7HDAC2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009016253-A2 | CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-02-05 | — | — | WO | claimed |
| EP-2020404-A1 | Cyanomethyl substituted N-Acyl Tryptamines | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-02-04 | — | — | EP | claimed |
| WO-2009016253-A2 | CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-02-05 | — | — | WO | disclosed |
| EP-2020404-A1 | Cyanomethyl substituted N-Acyl Tryptamines | Bayer Schering Pharma Aktiengesellschaft (DE) | 2009-02-04 | — | — | EP | disclosed |