Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17508143 | 0.85 | KCNQ2 (0.44) | ALDH1A1HTR7HTTHDAC3HDAC4 | |
| SCHEMBL27438873 | 0.84 | FFAR2 (0.51) | SLC6A3FFAR2HDAC4HDAC7HDAC5 | |
| SCHEMBL8653539 | 0.84 | POLB (0.43) | ALDH1A1SLC6A2SLC6A3FFAR2LMNA | |
| SCHEMBL4312697 | 0.84 | ALDH1A1 (0.46) | ALDH1A1HPGDSLC6A2SLC6A3HTR7 | |
| SCHEMBL27658097 | 0.82 | ALDH1A1 (0.45) | ALDH1A1HPGDSLC6A2SLC6A3HTR7 | |
| SCHEMBL971454 | 0.81 | CYP2C19 (0.48) | ALDH1A1LMNAPOLB | |
| SCHEMBL11017912 | 0.81 | HTT (0.41) | ALDH1A1HPGDSLC6A3HTR7HTT | |
| SCHEMBL11861833 | 0.79 | ESR1 (0.47) | ALDH1A1HPGDHTTLMNA | |
| SCHEMBL27576325 | 0.78 | ALDH1A1 (0.46) | ALDH1A1HPGDSLC6A2SLC6A3HTT | |
| SCHEMBL7732581 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HPGDSLC6A2SLC6A3LMNA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10174015-B2 | Substituted heterocyclic derivative, preparation method and use thereof | XIAMEN UNIVERSITY (CN) | 2019-01-08 | — | — | US | disclosed |
| US-20170334896-A1 | Substituted Heterocyclic Derivative, Preparation Method And Use Thereof | XIAMEN UNIVERSITY (CN) | 2017-11-23 | — | — | US | disclosed |
| CN-107074788-A | Substituted heterocyclic derivatives, preparation method and application thereof | 厦门大学 | 2017-08-18 | — | — | CN | disclosed |
| WO-2016019588-A1 | OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE | THE BROAD INSTITUTE, INC. (US) | 2016-02-11 | — | — | WO | disclosed |
| WO-2003070244-A1 | ANTAGONIST OF MELANIN CONCENTRATING HORMONE AND THEIR USES | ABBOTT LABORATORIES (US) | 2003-08-28 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170334896-A1 | Substituted Heterocyclic Derivative, Preparation Method And Use Thereof | FAAH, NAAA, FAAH2 | ALDH1A1 285/4885HPGD 71/4885SLC6A2 578/4885 |
| US-10174015-B2 | Substituted heterocyclic derivative, preparation method and use thereof | DHPS, CYP3A5, CYP3A4 | ALDH1A1 212/4885HPGD 54/4885SLC6A2 2173/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.