Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 3/20 | 0.53 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 3/20 | 0.43 |
| ▸ | PNMT | P11086 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL126469 | 0.82 | — | — | |
| SCHEMBL2520376 | 0.80 | IDO1 (0.56) | IDO1PNMTTAAR1SMN1; SMN2KCNH2 | |
| SCHEMBL5345971 | 0.80 | IDO1 (0.56) | IDO1PNMTTAAR1SMN1; SMN2KCNH2 | |
| 1,2-Dichlorobenzene SCHEMBL4473756 | 0.80 | LMNA (0.56) | CYP2A13MGLLSMN1; SMN2ALDH1A1HTT | |
| Ammonia Solution, Strong SCHEMBL21633813 | 0.80 | IDO1 (0.56) | IDO1PNMTTAAR1SMN1; SMN2KCNH2 | |
| Hydrochloric Acid SCHEMBL29120628 | 0.80 | IDO1 (0.56) | IDO1PNMTTAAR1SMN1; SMN2KCNH2 | |
| Cyanide SCHEMBL28154275 | 0.76 | IDO1 (0.52) | IDO1PNMTTAAR1SMN1; SMN2KCNH2 | |
| Tetrahydrofuran SCHEMBL28098587 | 0.76 | L3MBTL1 (0.46) | ALDH1A1KDM4EMAPT | |
| Biphenyl SCHEMBL11221029 | 0.74 | TAAR1 (0.52) | IDO1PNMTTAAR1SMN1; SMN2KCNH2 | |
| 1,2-Dichlorobenzene SCHEMBL28116775 | 0.74 | LMNA (0.48) | CYP2A13MGLLSMN1; SMN2ALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0475122-A1 | Process for the preparation of intermediates | BAYER AG (DE) | 1992-03-18 | — | — | EP | disclosed |