Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.65 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.65 |
| ▸ | SRD5A2 | P31213 | 4/20 | 0.59 |
| ▸ | CES2 | O00748 | 3/20 | 0.53 |
| ▸ | CES1 | P23141 | 3/20 | 0.53 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4030936 | 0.92 | TSHR (0.71) | TSHRALOX15SRD5A2CES2CES1 | |
| SCHEMBL5510121 | 0.88 | SRD5A2 (0.72) | TSHRSRD5A2CES2CES1DAO | |
| Diphenylmethanol SCHEMBL28538283 | 0.86 | TSHR (0.67) | TSHRSRD5A2CES2CES1DAO | |
| SCHEMBL5161936 | 0.85 | SRD5A2 (0.55) | TSHRALOX15SRD5A2CES2CES1 | |
| 4-Chloro-Benzoic Acid SCHEMBL29157593 | 0.83 | TSHR (0.85) | TSHRALOX15SRD5A2CES2CES1 | |
| SCHEMBL477552 | 0.83 | IDO1 (0.54) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL477349 | 0.83 | IDO1 (0.54) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL477379 | 0.83 | IDO1 (0.54) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL10439949 | 0.81 | IDO1 (0.52) | TSHRMEN1KMT2ACA12CA1 | |
| SCHEMBL4640939 | 0.81 | SRD5A2 (0.68) | TSHRALOX15SRD5A2CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109369394-B | Photocatalytic oxidation synthesis method of diphenylcarbinol ester | 浙江工业大学 | 2021-03-26 | — | — | CN | disclosed |