Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | DAO | P14920 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NQO2 | P16083 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | DDO | Q99489 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15947574 | 0.84 | ALDH1A1 (0.61) | CYP1A2KMT2AMAPTALDH1A1USP2 | |
| SCHEMBL12540 | 0.79 | ALDH1A1 (0.50) | CYP1A2KMT2AMAPTMEN1CYP2C9 | |
| SCHEMBL1171203 | 0.79 | NPC1 (0.51) | CYP1A2KMT2AMAPTMEN1CYP2C9 | |
| SCHEMBL28151599 | 0.79 | PLAU (0.46) | KMT2AMAPTMEN1ALDH1A1USP2 | |
| Methyl Alcohol SCHEMBL4797570 | 0.77 | CYP1A2 (0.46) | CYP1A2KMT2AMAPTMEN1CYP2C9 | |
| SCHEMBL11268351 | 0.77 | TLR8 (0.39) | — | |
| SCHEMBL229607 | 0.76 | KMT2A (0.44) | CYP1A2KMT2AMAPTMEN1CYP2C9 | |
| SCHEMBL4441068 | 0.76 | KMT2A (0.51) | CYP1A2KMT2AMAPTMEN1CYP2C9 | |
| SCHEMBL22800202 | 0.76 | KMT2A (0.44) | CYP1A2KMT2AMAPTMEN1CYP2C9 | |
| SCHEMBL4386728 | 0.76 | KMT2A (0.44) | CYP1A2KMT2AMAPTMEN1CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017098421-A1 | BENZOTHIADIAZINE COMPOUNDS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2017-06-15 | — | — | WO | disclosed |