Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 1.00 |
| ▸ | LMNA | P02545 | 1/20 | 1.00 |
| ▸ | MAPT | P10636 | 1/20 | 1.00 |
| ▸ | HPGD | P15428 | 1/20 | 1.00 |
| ▸ | HTT | P42858 | 1/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 1/20 | 1.00 |
| ▸ | ATM | Q13315 | 1/20 | 1.00 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.72 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.72 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.72 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.72 |
| ▸ | ALOX15 | P16050 | 10/20 | 0.68 |
| ▸ | ALOX12 | P18054 | 6/20 | 0.64 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL30298313 | 1.00 | MEN1 (1.00) | MEN1LMNAMAPTHPGDHTT | |
| SCHEMBL30298315 | 1.00 | MEN1 (1.00) | MEN1LMNAMAPTHPGDHTT | |
| SCHEMBL899494 | 0.85 | MAPK1 (1.00) | MEN1LMNAMAPTHPGDHTT | |
| SCHEMBL29367556 | 0.85 | MAPK1 (1.00) | MEN1LMNAMAPTHPGDHTT | |
| SCHEMBL30298314 | 0.82 | MAPK1 (0.75) | MEN1LMNAMAPTHPGDHTT | |
| SCHEMBL30298309 | 0.82 | MAPK1 (0.75) | MEN1LMNAMAPTHPGDHTT | |
| SCHEMBL1661276 | 0.82 | MAPK1 (0.75) | MEN1LMNAMAPTHPGDHTT | |
| SCHEMBL16678817 | 0.81 | MAPK1 (0.82) | MEN1LMNAMAPTHPGDHTT | |
| SCHEMBL29456510 | 0.81 | MAPK1 (0.82) | MEN1LMNAMAPTHPGDHTT | |
| SCHEMBL29469595 | 0.81 | ALOX15 (1.00) | MEN1LMNAMAPTHPGDHTT |
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-116030903-A | Thyroid interference prediction method based on molecular docking OH-PBDEs | 湖南文理学院 | 2023-04-28 | — | — | CN | claimed |
| CN-116030903-A | Thyroid interference prediction method based on molecular docking OH-PBDEs | 湖南文理学院 | 2023-04-28 | — | — | CN | disclosed |