Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.36 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.36 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPY1R | P25929 | 2/20 | 0.34 |
| ▸ | NPY4R | P50391 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29398784 | 0.88 | CYP2D6 (0.42) | MMP2HDAC6HDAC3HDAC4HDAC1 | |
| Trifluoroacetic Acid SCHEMBL4397272 | 0.81 | KDM4E (0.42) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL23568850 | 0.81 | ALDH1A1 (0.54) | HDAC6CYP3A4CYP2D6TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL27202275 | 0.79 | ALDH1A1 (0.52) | HDAC6CYP3A4CYP2D6TSHRCYP2C19 | |
| Trifluoroacetic Acid SCHEMBL2213601 | 0.77 | HDAC3 (0.57) | MMP2HDAC6HDAC3HDAC4HDAC1 | |
| Trifluoroacetic Acid SCHEMBL8722643 | 0.76 | KDM4E (0.48) | MMP2HDAC6HDAC3HDAC4HDAC1 | |
| SCHEMBL20045681 | 0.75 | CYP3A4 (0.39) | MMP2HDAC6HDAC3CYP3A4CYP2D6 | |
| Trifluoroacetic Acid SCHEMBL16095879 | 0.74 | DRD2 (0.46) | MMP2HDAC6HDAC3HDAC4HDAC1 | |
| Trifluoroacetic Acid SCHEMBL23355106 | 0.74 | TSHR (0.35) | HDAC6HDAC3HDAC4HDAC1HDAC7 | |
| Trifluoroacetic Acid SCHEMBL4388146 | 0.74 | NPY1R (0.40) | HDAC6TSHRNPY1RNPY4R |
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 |
|---|---|---|---|---|---|---|---|
| CN-116059390-A | Prodrugs of cytotoxic actives with enzymatically cleavable groups | 拜耳制药股份公司 | 2023-05-05 | — | — | CN | disclosed |
| CN-107921145-A | The antibody drug conjugate of KSP inhibitor and anti-TWEAKR antibody（ADC） | 拜耳医药股份有限公司 | 2018-04-17 | — | — | CN | disclosed |