Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | XIAP | P98170 | 2/20 | 0.40 |
| ▸ | SLC15A2 | Q16348 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5669877 | 0.79 | F10 (0.46) | TSHRCYP3A4CYP2C19ALDH1A1KMT2A | |
| SCHEMBL5566036 | 0.78 | TSHR (0.43) | TSHRCYP3A4CYP2C19ALDH1A1KMT2A | |
| SCHEMBL998303 | 0.77 | TSHR (0.50) | TSHRCYP3A4CYP2C19ALDH1A1KMT2A | |
| SCHEMBL4154774 | 0.77 | TSHR (0.50) | TSHRCYP3A4CYP2C19ALDH1A1KMT2A | |
| Hydrochloric Acid SCHEMBL21994987 | 0.76 | TSHR (0.49) | TSHRCYP3A4CYP2C19ALDH1A1KMT2A | |
| SCHEMBL6376772 | 0.73 | TSHR (0.61) | TSHRCYP3A4CYP2C19ALDH1A1KMT2A | |
| SCHEMBL21237659 | 0.73 | TSHR (0.61) | TSHRCYP3A4CYP2C19ALDH1A1KMT2A | |
| SCHEMBL6529716 | 0.73 | TSHR (0.61) | TSHRCYP3A4CYP2C19ALDH1A1KMT2A | |
| SCHEMBL5570502 | 0.70 | MAPT (0.46) | ALDH1A1KMT2AMAPTGAANPSR1 | |
| SCHEMBL5570601 | 0.69 | TSHR (0.45) | TSHRCYP3A4CYP2C19ALDH1A1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| US-7250415-B2 | 1,1-Disubstitutedcycloalkyl-, glycinamidyl-, sulfonyl-amidino-, and tetrahydropyrimidinyl-containing diaminoalkyl, β-aminoacids, α-aminoacids and derivatives thereof as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-07-31 | — | — | US | disclosed |