Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20207784 | 0.85 | AKR1B1 (0.44) | AKR1B1HTTNISCHNFE2L2KDM4E | |
| SCHEMBL15014113 | 0.82 | PSEN1 (0.44) | HTTKDM4ETAAR1 | |
| SCHEMBL20201656 | 0.82 | AKR1B1 (0.44) | AKR1B1HTTNISCHNFE2L2KDM4E | |
| SCHEMBL20207808 | 0.80 | AKR1B1 (0.41) | AKR1B1HTTNISCHGRIN2BSLC6A2 | |
| SCHEMBL10111220 | 0.79 | ALDH1A1 (0.38) | HTTSMN1; SMN2CYP1A2CYP2A6MAPT | |
| SCHEMBL17269560 | 0.79 | AKR1B1 (0.47) | AKR1B1HTTNISCHNFE2L2KDM4E | |
| SCHEMBL19633546 | 0.76 | TDP1 (0.46) | SMN1; SMN2NPC1MAPTPKMRAB9A | |
| SCHEMBL20376205 | 0.76 | HSP90AA1 (0.37) | HTTKDM4EACHE | |
| SCHEMBL21325078 | 0.76 | CYP1A2 (0.40) | KDM4EACHECYP1A2MAPTPKM | |
| SCHEMBL20207785 | 0.76 | SLC6A4 (0.34) | CYP1A2SLC6A2SLC6A4SLC6A3 |
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-2018098206-A1 | HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS | CV6 THERAPEUTICS (NI) LIMITED (GB) | 2018-05-31 | — | — | WO | disclosed |
| WO-2018098204-A1 | 6-MEMBERED URACIL ISOSTERES | CV6 THERAPEUTICS (NI) LIMITED (GB) | 2018-05-31 | — | — | WO | disclosed |