Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.53 |
| ▸ | HTR1E | P28566 | 1/20 | 0.53 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.53 |
| ▸ | HSPA9 | P38646 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | NAMPT | P43490 | 1/20 | 0.45 |
| ▸ | PTGES | O14684 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17729035 | 0.83 | L3MBTL1 (0.43) | NPSR1ALDH1A1L3MBTL1GAALMNA | |
| Piperidine SCHEMBL27716285 | 0.74 | KMT2A (0.62) | MAPTMEN1KMT2AALDH1A1GAA | |
| SCHEMBL10626089 | 0.71 | MEN1 (0.57) | MAPTNPSR1HTR1ES1PR3MEN1 | |
| Azetidine SCHEMBL27897562 | 0.70 | ADRB1 (0.59) | MAPTALDH1A1GAALMNATDP1 | |
| SCHEMBL18129842 | 0.69 | CCR2 (0.33) | KMT2AALDH1A1SMN1; SMN2KDM4ECYP3A4 | |
| SCHEMBL14637825 | 0.68 | MAPK1 (0.38) | MAPTNPSR1HTR1ES1PR3HSPA9 | |
| SCHEMBL642700 | 0.67 | KMT2A (0.81) | MAPTMEN1KMT2AALDH1A1GAA | |
| SCHEMBL16922176 | 0.67 | KMT2A (0.81) | MAPTMEN1KMT2AALDH1A1GAA | |
| SCHEMBL6302157 | 0.67 | MEN1 (1.00) | MAPTNPSR1MEN1KMT2AGAA | |
| SCHEMBL1177730 | 0.67 | MEN1 (1.00) | MAPTNPSR1MEN1KMT2AGAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013012827-A1 | DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-01-24 | — | — | WO | disclosed |
| WO-2013012829-A1 | DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-01-24 | — | — | WO | disclosed |