Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL7136383 | 1.00 | ALDH1A1 (0.36) | ALDH1A1TSHRGABRA1GABRG2GABRB3 | |
| SCHEMBL5718248 | 0.87 | ALDH1A1 (0.35) | ALDH1A1TSHRTHRBBLMPMP22 | |
| SCHEMBL5718250 | 0.85 | ALDH1A1 (0.34) | ALDH1A1TSHRGABRA1GABRG2GABRB3 | |
| SCHEMBL7140859 | 0.82 | GABRA1 (0.49) | ALDH1A1GABRA1GABRG2GABRB3 | |
| SCHEMBL7136332 | 0.82 | GABRA1 (0.49) | ALDH1A1GABRA1GABRG2GABRB3 | |
| SCHEMBL5718230 | 0.82 | GABRA1 (0.35) | ALDH1A1TSHRGABRA1GABRG2GABRB3 | |
| SCHEMBL5718181 | 0.79 | GABRA1 (0.38) | ALDH1A1TSHRGABRA1GABRG2GABRB3 | |
| SCHEMBL7702738 | 0.78 | ALDH1A1 (0.38) | ALDH1A1TSHRTHRBBLMPMP22 | |
| SCHEMBL7139306 | 0.78 | ALDH1A1 (0.38) | ALDH1A1TSHRTHRBBLMPMP22 | |
| SCHEMBL15165578 | 0.76 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1098871-B1 | alpha-AMINO ACID PHENYL ESTER DERIVATIVES | AKZO NOBEL NV (NL) | 2003-07-09 | — | — | EP | disclosed |
| US-6451854-B1 | α-amino acid phenyl ester derivatives | AKZO NOBEL N.V. (NL) | 2002-09-17 | — | — | US | disclosed |
| EP-1098871-A1 | $g(a)-AMINO ACID PHENYL ESTER DERIVATIVES | Akzo Nobel N.V. (NL) | 2001-05-16 | — | — | EP | disclosed |
| WO-2000005196-A1 | α-AMINO ACID PHENYL ESTER DERIVATIVES | AKZO NOBEL N.V. (NL) | 2000-02-03 | — | — | WO | disclosed |