Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.32 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL897369 | 0.93 | ACHE (0.39) | ALDH1A1ACHETUBB1TAS1R3TAS1R1 | |
| Hydrochloric Acid SCHEMBL4534575 | 0.88 | ALDH1A1 (0.36) | ALDH1A1ACHEDHFRTDP1 | |
| SCHEMBL18798704 | 0.83 | ALDH1A1 (0.37) | ALDH1A1ACHETUBB1TAS1R3TAS1R1 | |
| SCHEMBL4449798 | 0.83 | RAPGEF4 (0.30) | — | |
| SCHEMBL25802259 | 0.82 | KDM4E (0.34) | ALDH1A1TUBB1TAS1R3TAS1R1HDAC3 | |
| SCHEMBL8400954 | 0.78 | ALDH1A1 (0.42) | ALDH1A1ACHETUBB1TAS1R3TAS1R1 | |
| SCHEMBL6414073 | 0.78 | ALDH1A1 (0.31) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL5432158 | 0.78 | — | — | |
| SCHEMBL1304637 | 0.76 | ALDH1A1 (0.37) | ALDH1A1ACHETAS1R3TAS1R1DHFR | |
| SCHEMBL1305179 | 0.76 | ALDH1A1 (0.41) | ALDH1A1ACHETAS1R3TAS1R1DHFR |
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 |
|---|---|---|---|---|---|---|---|
| US-20160099412-A1 | N-TYPE ORGANIC SEMICONDUCTOR FORMULATIONS AND DEVICES | LI YUNING (CA) | 2016-04-07 | — | — | US | disclosed |