Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | GSTP1 | P09211 | 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 | |
|---|---|---|---|---|
| SCHEMBL27459545 | 0.80 | GSTP1 (0.47) | CYP1A2ADORA2AADORA1ALDH1A1KDM4E | |
| SCHEMBL6899996 | 0.75 | MGAM (0.39) | CYP1A2ALDH1A1KDM4EMAPTCYP1B1 | |
| SCHEMBL4004153 | 0.73 | CYP2A6 (0.38) | CYP1A2DHFRADORA2AADORA1ALDH1A1 | |
| SCHEMBL24060806 | 0.70 | GSTP1 (0.41) | CYP1A2DHFRALDH1A1KDM4ENPC1 | |
| SCHEMBL4808925 | 0.70 | GSTP1 (0.35) | CYP1A2DHFRADORA2AADORA1ALDH1A1 | |
| SCHEMBL4009020 | 0.70 | GSTP1 (0.35) | CYP1A2ADORA2AADORA1ALDH1A1KDM4E | |
| SCHEMBL4005351 | 0.70 | HTR1D (0.36) | CYP1A2DHFRADORA2AADORA1ALDH1A1 | |
| SCHEMBL5887031 | 0.68 | CDC25A (0.44) | CYP1A2DHFRNPC1RAB9AGSTP1 | |
| SCHEMBL5887567 | 0.68 | CA1 (0.39) | GSTP1ESR1ESR2ALOX5CA1 | |
| SCHEMBL5013872 | 0.66 | ESR1 (0.71) | CYP1A2ALDH1A1KDM4ENPC1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| JP-2004315495-A | NEW ARYLAMINE DERIVATIVE HAVING FLUORENE SKELETON, SYNTHETIC INTERMEDIATE OF THE SAME, METHOD FOR PRODUCING THEM AND ORGANIC EL ELEMENT | TOSOH CORP | 2004-11-11 | — | — | JP | disclosed |