Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 5/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.58 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CTSD | P07339 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CDC25B | P30305 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL11300388 | 1.00 | MEN1 (0.58) | MEN1KMT2AAKR1C3ALDH1A1CTSD | |
| SCHEMBL28189457 | 0.95 | AKR1C3 (0.57) | MEN1KMT2AAKR1C3ALDH1A1CTSD | |
| SCHEMBL11301800 | 0.86 | MAPK1 (0.59) | AKR1C3ALDH1A1CTSDMAPTNPC1 | |
| SCHEMBL411359 | 0.86 | ALDH1A1 (0.59) | AKR1C3ALDH1A1CTSDMAPTNPC1 | |
| SCHEMBL27637513 | 0.86 | ALDH1A1 (0.59) | AKR1C3ALDH1A1CTSDMAPTNPC1 | |
| SCHEMBL11301789 | 0.85 | MAPK1 (0.60) | ALDH1A1CTSDL3MBTL1LMNAMAPK1 | |
| SCHEMBL30435123 | 0.85 | MAPK1 (0.60) | ALDH1A1CTSDL3MBTL1LMNAMAPK1 | |
| Bromomethane SCHEMBL27384299 | 0.85 | ALDH1A1 (0.54) | AKR1C3ALDH1A1CTSDMAPTNPC1 | |
| SCHEMBL11023432 | 0.85 | ALDH1A1 (0.59) | MEN1KMT2AALDH1A1CTSDMAPT | |
| Water SCHEMBL4951772 | 0.84 | ALDH1A1 (0.58) | MEN1KMT2AAKR1C3ALDH1A1CTSD |
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-113443999-B | Benzene liquid crystal compound and preparation method thereof | 河北凡克新材料有限公司 | 2023-03-24 | — | — | CN | disclosed |
| CN-113443999-B | Benzene liquid crystal compound and preparation method thereof | 河北凡克新材料有限公司 | 2023-03-24 | — | — | CN | disclosed |