Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL18290561 | 0.77 | MEN1 (0.49) | MEN1KMT2ATDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7862976 | 0.74 | TDP1 (0.46) | MEN1KMT2ATDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL12603677 | 0.72 | CYP1A2 (0.51) | KMT2ATDP1SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL6815200 | 0.72 | CYP1A2 (0.51) | KMT2ATDP1SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL16440164 | 0.72 | CYP1A2 (0.51) | KMT2ATDP1SMN1; SMN2ALDH1A1GAA | |
| SCHEMBL13882951 | 0.71 | SMN1; SMN2 (0.54) | MEN1KMT2ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL14902858 | 0.71 | SMN1; SMN2 (0.54) | MEN1KMT2ASMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL25836970 | 0.71 | MEN1 (0.44) | MEN1KMT2ATDP1SMN1; SMN2ALDH1A1 | |
| SCHEMBL14176132 | 0.69 | KMT2A (0.62) | MEN1KMT2ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL13606731 | 0.68 | SMN1; SMN2 (0.41) | KMT2ATDP1SMN1; SMN2ALDH1A1GAA |
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 3 patents. 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 |
| 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 |
| WO-2004108892-A2 | 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) | 2004-12-16 | — | — | WO | disclosed |