Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 5/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28493853 | 0.84 | KDM4E (0.60) | ALDH1A1HSD17B10TSHRLMNACYP1A2 | |
| SCHEMBL29663621 | 0.82 | RXFP1 (0.55) | ALDH1A1HSD17B10TSHRRXFP1LMNA | |
| SCHEMBL12872990 | 0.82 | ALDH1A1 (0.56) | CYP3A4ALDH1A1TSHRRXFP1LMNA | |
| SCHEMBL9330701 | 0.81 | KMT2A (0.61) | ALDH1A1HSD17B10TSHRRXFP1LMNA | |
| SCHEMBL7600019 | 0.80 | CYP3A4 (0.55) | CYP3A4ALDH1A1HSD17B10TSHRLMNA | |
| SCHEMBL13209432 | 0.80 | RXFP1 (0.46) | ALDH1A1RXFP1LMNACYP1A2CYP2C19 | |
| SCHEMBL12292165 | 0.79 | RXFP1 (0.53) | ALDH1A1HSD17B10TSHRRXFP1LMNA | |
| SCHEMBL2460812 | 0.79 | CYP3A4 (0.70) | CYP3A4ALDH1A1HSD17B10TSHRLMNA | |
| SCHEMBL11302755 | 0.79 | CYP3A4 (0.60) | CYP3A4ALDH1A1HSD17B10TSHRLMNA | |
| SCHEMBL7581997 | 0.79 | CYP3A4 (0.60) | CYP3A4ALDH1A1HSD17B10TSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-100413972-C | Enzymatic process for preparing substituted 2-amino-3- (2-amino-thiophenyl) -propionic acids | HOFFMANN LA ROCHE (CH) | 2008-08-27 | — | — | CN | disclosed |
| CN-1553959-A | Enzymatic process for preparing substituted 2-amino-3- (2-amino-thiophenyl) -propionic acids | - | 2004-12-08 | — | — | CN | disclosed |