Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 6/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | GMNN | O75496 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Thioglycolic Acid SCHEMBL890671 | 1.00 | TSHR (0.36) | TSHRFFAR3HDAC3HDAC1HDAC2 | |
| Mercaptopropionic Acid SCHEMBL5528510 | 0.85 | TSHR (0.36) | TSHRFFAR3HDAC3HDAC1HDAC2 | |
| Mercaptopropionic Acid SCHEMBL330954 | 0.85 | TSHR (0.42) | TSHRFFAR3HDAC3HDAC1HDAC2 | |
| Thioglycolic Acid SCHEMBL28085269 | 0.83 | FFAR3 (0.36) | TSHRFFAR3HDAC3HDAC1HDAC2 | |
| Thioglycolic Acid SCHEMBL330700 | 0.83 | FFAR3 (0.38) | TSHRFFAR3HDAC3HDAC1HDAC2 | |
| Thioglycolic Acid SCHEMBL332197 | 0.83 | FFAR3 (0.36) | TSHRFFAR3HDAC3HDAC1HDAC2 | |
| Mercaptopropionic Acid SCHEMBL5534977 | 0.81 | TSHR (0.32) | TSHRFFAR3HDAC3HDAC1HDAC2 | |
| SCHEMBL331082 | 0.79 | — | — | |
| Thioglycolic Acid SCHEMBL3284619 | 0.76 | — | — | |
| Thioglycolic Acid SCHEMBL476547 | 0.76 | FFAR3 (0.50) | TSHRFFAR3HDAC3HDAC1HDAC2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104781229-B | 1, 4-bis (isocyanatomethyl) cyclohexane, polyisocyanate composition, polyurethane resin, molded article, eyewear material, eyewear frame, and lens | 三井化学株式会社 | 2017-03-01 | — | — | CN | disclosed |
| CN-105017080-B | 1, 4-bis (isocyanatomethyl) cyclohexane, polyisocyanate composition, spectacle material, spectacle frame, and lens | 三井化学株式会社 | 2016-10-12 | — | — | CN | disclosed |