Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.64 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.64 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL167044 | 1.00 | CYP2C19 (0.64) | CYP2C19HIF1AMAPTKMT2ACYP1A2 | |
| SCHEMBL2295046 | 1.00 | CYP2C19 (0.64) | CYP2C19HIF1AMAPTKMT2ACYP1A2 | |
| Hydrochloric Acid SCHEMBL5860902 | 0.98 | CYP2C19 (0.62) | CYP2C19HIF1AMAPTKMT2ACYP1A2 | |
| SCHEMBL1444112 | 0.84 | CYP2C19 (0.46) | CYP2C19HIF1AMAPTKMT2AKIF11 | |
| SCHEMBL1585458 | 0.82 | CYP2C19 (0.44) | CYP2C19HIF1AKMT2AKIF11CYP3A4 | |
| SCHEMBL1920886 | 0.82 | MIF (0.61) | CYP2C19HIF1AMAPTKMT2ACYP1A2 | |
| SCHEMBL831691 | 0.82 | MIF (0.61) | CYP2C19HIF1AMAPTKMT2ACYP1A2 | |
| SCHEMBL17047210 | 0.82 | MIF (0.61) | CYP2C19HIF1AMAPTKMT2ACYP1A2 | |
| SCHEMBL17047180 | 0.82 | CYP2C19 (0.44) | CYP2C19HIF1ACYP1A2CYP2D6KIF11 | |
| SCHEMBL28773136 | 0.82 | CYP2C19 (0.44) | CYP2C19HIF1ACYP1A2CYP2D6KIF11 |
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-8003806-B2 | Integrin antagonists useful as anticancer agents | OSI Pharmaceuticals, LLC (US) | 2011-08-23 | — | — | US | disclosed |
| US-20040023344-A1 | Method for producing an optically activ beta-amino acid | TAKASAGO INTERNATIONAL CORPORATION (JP) | 2004-02-05 | — | — | US | disclosed |