Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | APP | P05067 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA7 | P43166 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8729761 | 0.86 | GRIN1 (0.43) | ALDH1A1SMN1; SMN2HPGDCYP1A2TSHR | |
| SCHEMBL7005116 | 0.86 | NPSR1 (0.46) | ARCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11441732 | 0.86 | APP (0.40) | ALDH1A1SMN1; SMN2HPGDAPPTSHR | |
| SCHEMBL6189588 | 0.84 | CYP1A1 (0.51) | ALDH1A1SMN1; SMN2HPGDCYP1A1CYP1A2 | |
| SCHEMBL4608864 | 0.83 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2HPGDAPPCA12 | |
| SCHEMBL8125196 | 0.83 | CYP1A2 (0.40) | ALDH1A1SMN1; SMN2HPGDCYP1A2CA4 | |
| SCHEMBL4608507 | 0.81 | HSP90AA1 (0.41) | ALDH1A1SMN1; SMN2HPGDAPPCA12 | |
| SCHEMBL5670544 | 0.81 | MEN1 (0.40) | ALDH1A1SMN1; SMN2CYP1A2TSHRLMNA | |
| SCHEMBL8123605 | 0.81 | RAB9A (0.46) | ALDH1A1SMN1; SMN2HPGDCYP1A2TP53 | |
| SCHEMBL5497662 | 0.81 | MAPK1 (0.40) | ALDH1A1SMN1; SMN2CYP1A1CYP1A2CYP1B1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118255649-A | Samarium diiodide mediated lignin beta-O-4 ketone model compound free radical cleavage | 浙江大学 | 2024-06-28 | — | — | CN | disclosed |
| US-5749925-A | Dyeing or printing process with new and known cationic 4,5-dihydro-iH-1,2,3-triazolium compounds as dyestuffs and new cationic 4,5-dihydro-1H-1,2,3-triazolium compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1998-05-12 | — | — | US | disclosed |
| US-4455421-A | ANTIFERTILITY, ANTIULCER AGENTS; TETRAZOLE DERIVATIVES | PFIZER INC. (US) | 1984-06-19 | — | — | US | disclosed |
| US-4365077-A | ANTIFERTILITY, ANTIULCER | PFIZER INC. (US) | 1982-12-21 | — | — | US | disclosed |
| US-4157341-A | 11-Desoxy-16-aryloxy-ω-tetranorprostaglandins | PFIZER INC. (US) | 1979-06-05 | — | — | US | disclosed |