Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 5/20 | 0.46 |
| ▸ | GABRD | O14764 | 5/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 5/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 5/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 5/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 5/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 5/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 5/20 | 0.46 |
| ▸ | GABRA4 | P48169 | 5/20 | 0.46 |
| ▸ | GABRE | P78334 | 5/20 | 0.46 |
| ▸ | GABRA6 | Q16445 | 5/20 | 0.46 |
| ▸ | GABRG1 | Q8N1C3 | 5/20 | 0.46 |
| ▸ | GABRG3 | Q99928 | 5/20 | 0.46 |
| ▸ | GABRQ | Q9UN88 | 5/20 | 0.46 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | NR4A3 | Q92570 | 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 | |
|---|---|---|---|---|
| SCHEMBL30041533 | 0.82 | VCP (0.55) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL23539672 | 0.82 | VCP (0.55) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL2778580 | 0.82 | SIRT1 (0.39) | NOTUMKDM4E | |
| SCHEMBL22276810 | 0.80 | NOTUM (0.46) | NOTUMVCPPRKDC | |
| SCHEMBL31286056 | 0.80 | NOTUM (0.46) | NOTUMVCPPRKDC | |
| SCHEMBL17129773 | 0.79 | MAP4K4 (0.51) | FAAHKDM4EMEN1MAPTKMT2A | |
| SCHEMBL26307287 | 0.79 | FLT1 (0.49) | NOTUMIDO1FLT1FLT4KDR | |
| SCHEMBL5186343 | 0.79 | HSD17B1 (0.58) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL20242220 | 0.79 | TAAR1 (0.46) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL10263073 | 0.79 | CA12 (0.47) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 12 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-8815909-B2 | Diaminocyclohexane compounds and uses thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-08-26 | — | — | US | disclosed |
| 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 |
| US-20130184284-A1 | DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2013-07-18 | — | — | 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 |
| WO-2013012827-A1 | DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-01-24 | — | — | WO | disclosed |
| WO-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085857-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-3-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085852-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | WO | disclosed |
| WO-2012085852-A1 | 3,8-DIAZA-BICYCLO[4.2.0]OCT-8-YL AMIDES | ACTELION PHARMACEUTICALS LTD (CH) | 2012-06-28 | — | — | 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 | GABRP 338/4885GABRD 400/4885GABRA1 353/4885 |
“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.