Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 6/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7859152 | 1.00 | HDAC1 (0.60) | HDAC1HDAC6KMT2AMEN1POLB | |
| SCHEMBL24445702 | 0.85 | ESR1 (0.61) | KMT2AATMALDH1A1THRBCYP2C9 | |
| SCHEMBL5614085 | 0.85 | ESR1 (0.61) | KMT2AATMALDH1A1THRBCYP2C9 | |
| SCHEMBL5614087 | 0.85 | ESR1 (0.61) | KMT2AATMALDH1A1THRBCYP2C9 | |
| SCHEMBL10076406 | 0.85 | ATM (0.58) | HDAC1HDAC6KMT2APOLBATM | |
| SCHEMBL9849136 | 0.84 | HDAC1 (0.65) | HDAC1HDAC6KMT2AMEN1POLB | |
| SCHEMBL5887330 | 0.84 | HDAC1 (0.65) | HDAC1HDAC6POLBATMALDH1A1 | |
| SCHEMBL9849139 | 0.84 | HDAC1 (0.65) | HDAC1HDAC6KMT2AMEN1POLB | |
| SCHEMBL502911 | 0.84 | HDAC1 (0.65) | HDAC1HDAC6POLBATMALDH1A1 | |
| SCHEMBL12379269 | 0.83 | ATM (0.46) | HDAC1HDAC6KMT2APOLBATM |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130209439-A1 | INHIBITORS OF PDE4 BINDING TO HSP20 | THE UNIVERSITY COURT OF THE UNIVERSITY OF GLASGOW (GB) | 2013-08-15 | — | — | US | disclosed |
| WO-2001007044-A1 | SMALL MOLECULES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASE | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2001-02-01 | — | — | WO | disclosed |