Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 9/20 | 0.57 |
| ▸ | TACR2 | P21452 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7838943 | 1.00 | TACR1 (0.57) | TACR1TACR2HDAC1HDAC8HDAC6 | |
| SCHEMBL7833719 | 1.00 | TACR1 (0.57) | TACR1TACR2HDAC1HDAC8HDAC6 | |
| SCHEMBL7836970 | 0.89 | POLB (0.54) | TACR1HDAC1HDAC8HDAC6HDAC4 | |
| SCHEMBL7825222 | 0.89 | POLB (0.54) | TACR1HDAC1HDAC8HDAC6HDAC4 | |
| SCHEMBL7825214 | 0.89 | POLB (0.54) | TACR1HDAC1HDAC8HDAC6HDAC4 | |
| SCHEMBL7825453 | 0.89 | TACR1 (0.54) | TACR1TACR2HDAC1HDAC8HDAC6 | |
| SCHEMBL7825610 | 0.89 | TACR1 (0.54) | TACR1TACR2HDAC1HDAC8HDAC6 | |
| SCHEMBL7825447 | 0.89 | TACR1 (0.54) | TACR1TACR2HDAC1HDAC8HDAC6 | |
| Hydrochloric Acid SCHEMBL7836546 | 0.88 | TACR1 (0.53) | TACR1TACR2HDAC1HDAC8HDAC6 | |
| Hydrochloric Acid SCHEMBL7836860 | 0.88 | TACR1 (0.53) | TACR1TACR2HDAC1HDAC8HDAC6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0815105-B1 | HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMA INC (US) | 2001-10-04 | — | — | EP | disclosed |
| EP-0815105-A1 | HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | HOECHST MARION ROUSSEL, INC. (US) | 1998-01-07 | — | — | EP | disclosed |
| WO-1996028441-A1 | HETEROCYCLIC SUBSTITUTED PIPERAZINONE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | HOECHST MARION ROUSSEL, INC. (US) | 1996-09-19 | — | — | WO | disclosed |