Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | JUN | P05412 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11489660 | 0.79 | NAPRT (0.42) | ALDH1A1JUNNFKB1NFKB2RELA | |
| SCHEMBL11098412 | 0.79 | NNMT (0.37) | JUNNFKB1NFKB2RELA | |
| SCHEMBL8539891 | 0.77 | NFKB1 (0.55) | JUNNFKB1NFKB2RELA | |
| SCHEMBL10776834 | 0.74 | KDM4E (0.35) | ALDH1A1ALOX15JUNNFKB1NFKB2 | |
| SCHEMBL447058 | 0.68 | ALDH1A1 (0.43) | ALDH1A1ALOX15NAPRT | |
| SCHEMBL30934037 | 0.68 | ALDH1A1 (0.43) | ALDH1A1ALOX15NAPRT | |
| SCHEMBL18398777 | 0.67 | ALDH1A1 (0.38) | ALDH1A1ALOX15NAPRT | |
| SCHEMBL27886904 | 0.67 | GPR27 (0.43) | ALDH1A1ALOX15NAPRT | |
| SCHEMBL14168378 | 0.67 | ALDH1A1 (0.38) | ALDH1A1ALOX15 | |
| SCHEMBL338632 | 0.66 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4204056-A | Process and intermediates for preparing fiber-reactive phthalocyanine dyes | CASSELLA AKTIENGESELLSCHAFT (DE) | 1980-05-20 | — | — | US | disclosed |
| US-4191686-A | FROM SULFONYL HALIDE SUBSTITUTED PARENT BY AMIDATION WITH AROMATIC DIAMINE, DIAZOTIZING, COUPLING TO KETO SUCCINIC ESTER, CYCLIZING, COUPLING TO REACTIVE MOIETY | CASSELLA AKTIENGESELLSCHAFT (DE) | 1980-03-04 | — | — | US | disclosed |