Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | EGFR | P00533 | 1/20 | 0.51 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.51 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.51 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | F3 | P13726 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | ATM | Q13315 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9427247 | 1.00 | GSK3B (0.55) | GSK3BCYP1A2CYP2C19EGFRERBB2 | |
| SCHEMBL9208139 | 1.00 | GSK3B (0.55) | GSK3BCYP1A2CYP2C19EGFRERBB2 | |
| SCHEMBL7999191 | 0.86 | LTB4R (0.65) | GSK3BLTB4RLTB4R2HDAC3HDAC1 | |
| SCHEMBL8862104 | 0.86 | LTB4R (0.65) | GSK3BLTB4RLTB4R2HDAC3HDAC1 | |
| SCHEMBL29260522 | 0.85 | PTGS2 (0.55) | CYP1A2CYP2C19RAB9ANPC1ALDH1A1 | |
| SCHEMBL10653530 | 0.84 | AKT1 (0.51) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL29016750 | 0.84 | AKT1 (0.51) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL1008123 | 0.83 | ALDH1A1 (0.56) | GSK3BCYP1A2CYP2C19EGFRERBB2 | |
| SCHEMBL1008121 | 0.83 | ALDH1A1 (0.56) | GSK3BCYP1A2CYP2C19EGFRERBB2 | |
| SCHEMBL8003031 | 0.82 | LTB4R (0.70) | GSK3BLTB4RLTB4R2F3RAB9A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5352701-A | Leukotriene-B4 antagonist compounds and their use as pharmaceutical agents | SCHERING AKTIENGESELLSCHAFT (DE) | 1994-10-04 | — | — | US | disclosed |