Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.75 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.58 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.56 |
| ▸ | HTR2A | P28223 | 6/20 | 0.56 |
| ▸ | HTR2C | P28335 | 6/20 | 0.56 |
| ▸ | HTR2B | P41595 | 6/20 | 0.56 |
| ▸ | DRD2 | P14416 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7496085 | 1.00 | HDAC8 (0.75) | HDAC8HDAC1HDAC6SIGMAR1HTR2A | |
| SCHEMBL8498130 | 0.91 | HDAC8 (0.64) | HDAC8HDAC1HDAC6SIGMAR1HTR2A | |
| SCHEMBL8498133 | 0.91 | HDAC8 (0.64) | HDAC8HDAC1HDAC6SIGMAR1HTR2A | |
| SCHEMBL28631404 | 0.85 | HDAC8 (0.70) | HDAC8HDAC1HDAC6SIGMAR1 | |
| SCHEMBL6745643 | 0.83 | HDAC8 (0.64) | HDAC8HDAC1HDAC6SIGMAR1 | |
| SCHEMBL6745644 | 0.83 | HDAC8 (0.64) | HDAC8HDAC1HDAC6SIGMAR1 | |
| SCHEMBL25246504 | 0.82 | HDAC8 (0.66) | HDAC8HDAC1HDAC6SIGMAR1KMT2A | |
| SCHEMBL29091717 | 0.82 | HDAC8 (0.66) | HDAC8HDAC1HDAC6SIGMAR1KMT2A | |
| SCHEMBL8133683 | 0.82 | HDAC8 (0.62) | HDAC8HDAC1HDAC6SIGMAR1DRD2 | |
| SCHEMBL8133688 | 0.82 | HDAC8 (0.62) | HDAC8HDAC1HDAC6SIGMAR1DRD2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1173170-A4 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2002-05-29 | — | — | EP | disclosed |
| EP-1173170-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2002-01-23 | — | — | EP | disclosed |
| US-6265434-B1 | ANTIINFLAMMATORY AGENTS | MERCK & CO., INC. | 2001-07-24 | — | — | US | disclosed |
| WO-2000059503-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |