Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.53 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MGAM | O43451 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | SI | P14410 | 3/20 | 0.37 |
| ▸ | MGAM2 | Q2M2H8 | 3/20 | 0.37 |
| ▸ | DHODH | Q02127 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20762474 | 0.80 | PARP1 (0.55) | PARP1TRPV1ALDH1A1KDM4EGAA | |
| SCHEMBL8734130 | 0.79 | PARP1 (0.47) | PARP1TRPV1DRD2DRD4DRD3 | |
| SCHEMBL8474269 | 0.79 | NPC1 (0.46) | PARP1TRPV1MGAMGAASI | |
| SCHEMBL8465569 | 0.76 | TRPV1 (0.42) | PARP1TRPV1KDM4EGAA | |
| SCHEMBL8470496 | 0.76 | TDP1 (0.38) | PARP1GAA | |
| SCHEMBL3884588 | 0.76 | PARP1 (0.59) | PARP1ADRB2ALDH1A1KDM4ECYP1A2 | |
| SCHEMBL353891 | 0.75 | PARP1 (0.56) | PARP1MGAMGAASIMGAM2 | |
| SCHEMBL20936149 | 0.75 | PARP1 (0.56) | PARP1DRD2DRD4DRD3ADRB2 | |
| SCHEMBL7611919 | 0.74 | CYP3A4 (0.53) | PARP1TRPV1DRD2DRD4DRD3 | |
| SCHEMBL7610690 | 0.74 | DRD2 (0.56) | PARP1DRD2DRD4DRD3GAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012068211-A1 | TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION | JANSSEN PHARMACEUTICA NV (BE) | 2012-05-24 | — | — | WO | disclosed |
| US-7790025-B2 | External gradient chromatofocusing | CRYOBIOPHYSICA, INC. (US) | 2010-09-07 | — | — | US | disclosed |
| US-20070144973-A1 | External gradient chromatofocusing | CRYOBIOPHYSICA, INC. (US) | 2007-06-28 | — | — | US | disclosed |
| EP-1628729-A2 | EXTERNAL GRADIENT CHROMATOFOCUSING | Cryobiophysica, Inc. (US) | 2006-03-01 | — | — | EP | disclosed |
| WO-2004103519-A2 | EXTERNAL GRADIENT CHROMATOFOCUSING | CRYOBIOPHYSICA, INC. (US) | 2004-12-02 | — | — | WO | disclosed |