Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.66 |
| ▸ | TSHR | P16473 | 2/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | LMNA | P02545 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.56 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | ACHE | P22303 | 3/20 | 0.53 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.51 |
| ▸ | TUBB | P07437 | 2/20 | 0.51 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.51 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.51 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL9449884 | 0.87 | CYP1A2 (0.51) | CYP1A2CYP2C19TSHRCYP3A4CYP2C9 | |
| SCHEMBL6342125 | 0.87 | ALDH1A1 (0.71) | ALDH1A1HTTL3MBTL1GAAMEN1 | |
| SCHEMBL7368821 | 0.87 | CA12 (0.67) | TSHRALDH1A1LMNAHTTMEN1 | |
| SCHEMBL4820827 | 0.86 | TSHR (0.73) | CYP1A2CYP2C19TSHRCYP3A4CYP2C9 | |
| SCHEMBL18360020 | 0.85 | MAPK1 (0.66) | CYP1A2CYP2C19TSHRCYP3A4CYP2C9 | |
| SCHEMBL17067577 | 0.85 | MAPT (0.60) | CYP1A2CYP2C19TSHRCYP3A4CYP2C9 | |
| SCHEMBL16955936 | 0.85 | ALDH1A1 (0.54) | CYP1A2CYP2C19TSHRCYP3A4CYP2C9 | |
| SCHEMBL18755183 | 0.82 | PDE4D (0.54) | TSHRALDH1A1MEN1KMT2AHPGD | |
| SCHEMBL17758615 | 0.82 | SLC6A2 (0.56) | CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL17758616 | 0.82 | ALDH1A1 (0.56) | CYP1A2CYP2C19TSHRCYP3A4CYP2C9 |
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-4115413-A | ACID FREE | BAYER AKTIENGESELLSCHAFT (DE) | 1978-09-19 | — | — | US | disclosed |