Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | BRD2 | P25440 | 1/20 | 0.40 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | ALB | P02768 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17896015 | 0.99 | KDM4E (0.40) | KDM4EALDH1A1HDAC1HDAC6BRD4 | |
| SCHEMBL17895999 | 0.95 | HDAC1 (0.43) | KDM4EALDH1A1HDAC1HDAC6BRD4 | |
| Hydrochloric Acid SCHEMBL17895993 | 0.94 | HDAC1 (0.43) | KDM4EALDH1A1HDAC1HDAC6BRD4 | |
| SCHEMBL17895948 | 0.88 | KDM4E (0.45) | KDM4EALDH1A1TDP1LMNACYP1A2 | |
| SCHEMBL17896029 | 0.87 | CHRM2 (0.46) | KDM4EALDH1A1HDAC1HDAC6BRD4 | |
| SCHEMBL17896020 | 0.86 | CHRM2 (0.53) | KDM4EALDH1A1HDAC1HDAC6BRD4 | |
| Hydrochloric Acid SCHEMBL17896038 | 0.86 | CHRM2 (0.52) | KDM4EALDH1A1HDAC1HDAC6BRD4 | |
| SCHEMBL17895862 | 0.85 | KMT2A (0.40) | KDM4EALDH1A1CREBBPLMNACYP2C19 | |
| Trifluoroacetic Acid SCHEMBL17895987 | 0.83 | CHRM2 (0.42) | KDM4EALDH1A1HDAC1HDAC6BRD4 | |
| SCHEMBL17896056 | 0.78 | KDM4E (0.37) | KDM4EALDH1A1TDP1LMNACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016109706-A1 | FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-07-07 | — | — | WO | claimed |
| WO-2016109706-A1 | FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-07-07 | — | — | WO | disclosed |