Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL28983033 | 0.91 | CYP1A2 (0.44) | CYP1A2NPSR1MAPTALDH1A1L3MBTL1 | |
| SCHEMBL17892423 | 0.89 | CYP1A2 (0.36) | CYP1A2NPSR1MAPTALDH1A1L3MBTL1 | |
| SCHEMBL632817 | 0.88 | CYP1A2 (0.46) | CYP1A2ALDH1A1KDM4ETDP1 | |
| SCHEMBL27851170 | 0.86 | CYP1A2 (0.35) | CYP1A2NPSR1ALDH1A1KDM4E | |
| SCHEMBL15859172 | 0.85 | CYP1A2 (0.53) | CYP1A2TDP1 | |
| Hydrochloric Acid SCHEMBL27282843 | 0.81 | CYP1A2 (0.44) | CYP1A2MAPTALDH1A1KDM4ETDP1 | |
| SCHEMBL30683846 | 0.80 | NPSR1 (0.35) | CYP1A2NPSR1MAPTALDH1A1L3MBTL1 | |
| SCHEMBL4006703 | 0.78 | NPSR1 (0.34) | CYP1A2NPSR1MAPT | |
| SCHEMBL757321 | 0.77 | NPSR1 (0.48) | NPSR1MAPTALDH1A1L3MBTL1 | |
| SCHEMBL230257 | 0.77 | NPSR1 (0.43) | NPSR1MAPTALDH1A1L3MBTL1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115532255-A | Preparation method and application of Ru-based catalyst | 厦门大学 | 2022-12-30 | — | — | CN | disclosed |
| CN-111302929-B | Catalyst for aqueous phase catalytic hydrogenation of phthalic acids and ester derivatives thereof, preparation method and application | 华侨大学 | 2022-11-01 | — | — | CN | disclosed |
| US-10597344-B2 | Method for preparing 1,3-cyclohexanedimethanol | LOTTE CHEMICAL CORPORATION (KR) | 2020-03-24 | — | — | US | disclosed |
| EP-3511313-A1 | METHOD FOR PREPARING 1,3-CYCLOHEXANEDIMETHANOL | Lotte Chemical Corporation (KR) | 2019-07-17 | — | — | EP | disclosed |
| US-20190202761-A1 | METHOD FOR PREPARING 1,3-CYCLOHEXANEDIMETHANOL | LOTTE CHEMICAL CORPORATION (KR) | 2019-07-04 | — | — | US | disclosed |
| WO-2016106652-A1 | BIARYLETHER IMIDAZOPYRAZINE BTK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-07-07 | — | — | WO | disclosed |