Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TXNRD1 | Q16881 | 2/20 | 0.34 |
| ▸ | TXNRD3 | Q86VQ6 | 2/20 | 0.34 |
| ▸ | TXNRD2 | Q9NNW7 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 2/20 | 0.30 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.30 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL21938642 | 0.91 | MAPT (0.35) | MAPTMEN1GABBR2CYP1A2CYP2C9 | |
| SCHEMBL14123560 | 0.65 | MAPT (0.46) | MAPTTXNRD1TXNRD3TXNRD2MEN1 | |
| SCHEMBL2418995 | 0.65 | MAPT (0.42) | MAPTTXNRD1TXNRD3TXNRD2MEN1 | |
| SCHEMBL15624647 | 0.62 | MAPT (0.44) | MAPTTXNRD1TXNRD3TXNRD2MEN1 | |
| SCHEMBL13219689 | 0.62 | MAPT (0.40) | MAPTTXNRD1TXNRD3TXNRD2KMT2A | |
| SCHEMBL27365047 | 0.61 | ALDH1A1 (0.42) | MAPTMEN1GABBR2CYP1A2CYP2C9 | |
| SCHEMBL5708807 | 0.60 | MAPT (0.39) | MAPTTXNRD1TXNRD3TXNRD2KMT2A | |
| SCHEMBL12170150 | 0.60 | MAPT (0.39) | MAPTTXNRD1TXNRD3TXNRD2KMT2A | |
| SCHEMBL5708847 | 0.60 | TSHR (0.42) | MAPTTXNRD1TXNRD3TXNRD2RAB9A | |
| SCHEMBL17431217 | 0.60 | MAPT (0.39) | MAPTTXNRD1TXNRD3TXNRD2CYP1A2 |
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-2020052194-A1 | FUSED RING BENZOTHIADIAZOLE-BASED NON-FULLERENE ACCEPTOR MATERIAL, PREPARATION METHOD THEREFOR AND USE THEREOF | 中南大学 | 2020-03-19 | — | — | WO | disclosed |