Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.43 |
| ▸ | CA2 | P00918 | 3/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 8/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 6/20 | 0.42 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.39 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL9181098 | 0.76 | CA1 (0.41) | CA1CA2CA12CA9EPHX2 | |
| SCHEMBL13483890 | 0.76 | EPHX2 (0.62) | CA1CA2EPHX2NR1H4RAB9A | |
| SCHEMBL9184489 | 0.74 | CA1 (0.50) | CA1CA2CA12CA9EPHX2 | |
| SCHEMBL5566268 | 0.74 | CA12 (0.45) | CA1CA2CA12CA9SPHK2 | |
| SCHEMBL26572833 | 0.73 | CA12 (0.49) | CA1CA2CA12CA9EPHX2 | |
| SCHEMBL5569181 | 0.73 | POLB (0.55) | MAPTPOLBRAB9AMEN1KMT2A | |
| SCHEMBL10192063 | 0.72 | TDP1 (0.58) | CA1CA2CA12CA9KDM4E | |
| SCHEMBL21015483 | 0.71 | HDAC6 (0.68) | CA1CA2EPHX2NR1H4RAB9A | |
| SCHEMBL5567037 | 0.70 | RAB9A (0.61) | KDM4EMAPTPOLBRAB9ALMNA | |
| SCHEMBL1913984 | 0.70 | KDM4E (0.72) | CA1CA2CA12CA9EPHX2 |
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 6 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 | claimed |
| US-20040266761-A1 | 1,1-Disubstitutedcycloalkyl-, glycinamidyl-, sulfonyl-amidino-, and Tetrahydropyrimidinyl-containing diaminoalkyl, beta-aminoacids, alpha-aminoacids and derivatives thereof as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2004-12-30 | — | — | US | claimed |
| 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 |
| EP-1628668-A2 | 1,1-DISUBSTITUTEDCYCLOALKYL-, GLYCINAMIDYL-, SULFONYL-AMIDINO-, AND TETRAHYDROPYRIMIDINYL-CONTAINING DIAMINOALKYL, BETA-AMINOACIDS, ALPHA-AMINOACIDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITO RS | Bristol-Myers Squibb Company (US) | 2006-03-01 | — | — | EP | disclosed |
| US-20040266761-A1 | 1,1-Disubstitutedcycloalkyl-, glycinamidyl-, sulfonyl-amidino-, and Tetrahydropyrimidinyl-containing diaminoalkyl, beta-aminoacids, alpha-aminoacids and derivatives thereof as factor Xa inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2004-12-30 | — | — | 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20040266761-A1 | 1,1-Disubstitutedcycloalkyl-, glycinamidyl-, sulfonyl-amidino-, and Tetrahydropyrimidinyl-containing diaminoalkyl, beta-aminoacids, alpha-aminoacids and derivatives thereof as factor Xa inhibitors | PEPD, F11, TPSAB1 | CA1 202/4885CA2 835/4885CA12 1085/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.