Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | METAP1 | P53582 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 3/20 | 0.37 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.37 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | CMA1 | P23946 | 2/20 | 0.35 |
| ▸ | AHR | P35869 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19238957 | 0.83 | ALDH1A1 (0.41) | METAP1ALDH1A1KDM4EMEN1HTT | |
| SCHEMBL20884015 | 0.81 | HPGD (0.44) | KDM4EMEN1KMT2ACYP3A4AKR1B1 | |
| SCHEMBL20889843 | 0.81 | PARP1 (0.39) | ALDH1A1PARP1PARP2HRH3CMA1 | |
| SCHEMBL1951145 | 0.77 | HRH3 (0.48) | AKR1B1PARP1PARP2HRH3AHR | |
| SCHEMBL1950552 | 0.76 | TDP2 (0.58) | MEN1KMT2ACYP3A4AKR1B1PARP1 | |
| SCHEMBL9920103 | 0.71 | TDP2 (0.64) | METAP1PARP10PARP11 | |
| SCHEMBL8221967 | 0.71 | PARP10 (0.46) | METAP1ALDH1A1KDM4EHTTCYP3A4 | |
| SCHEMBL18416428 | 0.71 | METAP1 (0.43) | METAP1ALDH1A1KDM4EHTTCYP3A4 | |
| SCHEMBL433708 | 0.71 | AHR (0.61) | EPHX2MMP12CMA1AHRPKM | |
| SCHEMBL278958 | 0.71 | AHR (0.61) | EPHX2MMP12CMA1AHRPKM |
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-2020210380-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | NUVATION BIO INC. (US) | 2020-10-15 | — | — | WO | disclosed |
| WO-2019074979-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | GIRAFPHARMA, LLC (US) | 2019-04-18 | — | — | WO | disclosed |