Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.47 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | PRCP | P42785 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5570412 | 0.81 | P2RY1 (0.46) | KMT2AMAPTNPSR1USP2ESR1 | |
| SCHEMBL5566711 | 0.80 | MAPT (0.44) | KMT2AMAPTNPSR1USP2ESR1 | |
| SCHEMBL5570477 | 0.79 | POLB (0.49) | KMT2AMAPTNPSR1USP2ESR1 | |
| SCHEMBL5566695 | 0.78 | KMT2A (0.43) | KMT2AMAPTNPSR1USP2ESR1 | |
| SCHEMBL5672305 | 0.77 | F10 (0.59) | KMT2AMAPTNPSR1USP2ESR1 | |
| SCHEMBL5566995 | 0.76 | OPRM1 (0.51) | OPRM1ROCK2ROCK1BAZ1APOLB | |
| SCHEMBL5566712 | 0.76 | POLB (0.47) | KMT2AMAPTNPSR1ALDH1A1GAA | |
| SCHEMBL5570394 | 0.76 | ROCK2 (0.45) | KMT2AMAPTALDH1A1OPRM1ROCK2 | |
| SCHEMBL19074543 | 0.75 | POLB (0.66) | KMT2AMAPTALDH1A1GAANPC1 | |
| SCHEMBL4982071 | 0.75 | POLB (0.66) | KMT2AMAPTALDH1A1GAANPC1 |
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 |