Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 4/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 4/20 | 0.36 |
| ▸ | USP2 | O75604 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21554193 | 0.77 | CYP3A4 (0.48) | ALDH1A1HPGDCYP3A4TDP1TSHR | |
| SCHEMBL5255672 | 0.74 | CYP3A4 (0.44) | ALDH1A1HPGDCYP3A4TDP1TSHR | |
| SCHEMBL5255678 | 0.74 | CYP3A4 (0.48) | ALDH1A1HPGDCYP3A4TDP1TSHR | |
| SCHEMBL7295621 | 0.71 | ALDH1A1 (0.52) | ALDH1A1HPGDCYP3A4TDP1TSHR | |
| SCHEMBL1892202 | 0.71 | ALDH1A1 (0.67) | ALDH1A1HPGDCYP3A4TDP1TSHR | |
| SCHEMBL16623896 | 0.70 | ALDH1A1 (0.65) | ALDH1A1HPGDCYP3A4TDP1TSHR | |
| SCHEMBL29788293 | 0.70 | ALDH1A1 (0.65) | ALDH1A1HPGDCYP3A4TDP1TSHR | |
| SCHEMBL30565110 | 0.70 | ALDH1A1 (0.65) | ALDH1A1HPGDCYP3A4TDP1TSHR | |
| SCHEMBL16107775 | 0.70 | ALDH1A1 (0.54) | ALDH1A1HPGDCYP3A4TDP1TSHR | |
| SCHEMBL21554126 | 0.68 | ALDH1A1 (0.48) | ALDH1A1HPGDCYP3A4TDP1TSHR |
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-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0587311-A1 | Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |