Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.44 |
| ▸ | FPR1 | P21462 | 1/20 | 0.43 |
| ▸ | FPR2 | P25090 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | USP2 | O75604 | 4/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | PTGES | O14684 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | SLC6A9 | P48067 | 3/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15106363 | 0.81 | FPR2 (0.44) | CYP3A4FPR1FPR2NOTUMUSP2 | |
| SCHEMBL15106364 | 0.81 | FPR2 (0.44) | CYP3A4FPR1FPR2NOTUMUSP2 | |
| SCHEMBL15115344 | 0.80 | CYP3A4 (0.44) | CYP3A4FPR1FPR2NOTUMUSP2 | |
| SCHEMBL23387362 | 0.75 | CYP11B1 (0.43) | CYP3A4HIF1ATSHR | |
| SCHEMBL23387360 | 0.75 | CYP11B1 (0.43) | CYP3A4HIF1ATSHR | |
| SCHEMBL14637697 | 0.74 | CYP3A4 (0.40) | CYP3A4FPR1FPR2NOTUMUSP2 | |
| SCHEMBL14638114 | 0.74 | CYP3A4 (0.40) | CYP3A4FPR1FPR2NOTUMUSP2 | |
| SCHEMBL14650106 | 0.73 | FPR2 (0.38) | CYP3A4FPR1FPR2NOTUMUSP2 | |
| SCHEMBL15106532 | 0.73 | FPR2 (0.38) | CYP3A4FPR1FPR2NOTUMUSP2 | |
| SCHEMBL15106531 | 0.73 | FPR2 (0.38) | CYP3A4FPR1FPR2NOTUMUSP2 |
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-8815909-B2 | Diaminocyclohexane compounds and uses thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-08-26 | — | — | US | disclosed |
| US-20130184284-A1 | DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2013-07-18 | — | — | US | disclosed |
| WO-2013012827-A1 | DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-01-24 | — | — | 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-20130184284-A1 | DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF | NPY4R, NPY2R, NPY1R | CYP3A4 1357/4885FPR1 28/4885FPR2 39/4885 |
“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.