Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.82 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.82 |
| ▸ | MAPT | P10636 | 2/20 | 0.82 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.78 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.78 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.78 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.78 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.78 |
| ▸ | PGR | P06401 | 1/20 | 0.78 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.78 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.78 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.78 |
| ▸ | KCNA2 | P16389 | 1/20 | 0.78 |
| ▸ | TSHR | P16473 | 1/20 | 0.78 |
| ▸ | MAOA | P21397 | 1/20 | 0.78 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.78 |
| ▸ | CA12 | O43570 | 1/20 | 0.57 |
| ▸ | CA1 | P00915 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| Isobergaptene SCHEMBL2253427 | 0.91 | CYP3A4 (1.00) | ALDH1A1CYP3A4KDM4EMAPTCYP1B1 | |
| Bergapten SCHEMBL4731782 | 0.88 | ALDH1A1 (1.00) | ALDH1A1CYP3A4KDM4EMAPTCYP1B1 | |
| Bergapten SCHEMBL50066 | 0.88 | ALDH1A1 (1.00) | ALDH1A1CYP3A4KDM4EMAPTCYP1B1 | |
| Bergapten SCHEMBL29529284 | 0.88 | ALDH1A1 (1.00) | ALDH1A1CYP3A4KDM4EMAPTCYP1B1 | |
| Isopimpinellin SCHEMBL29787210 | 0.85 | CYP3A4 (0.82) | ALDH1A1CYP3A4KDM4EMAPTCYP1B1 | |
| Bergapten SCHEMBL9792363 | 0.81 | CYP3A4 (0.74) | ALDH1A1CYP3A4KDM4EMAPTCYP1B1 | |
| 5,6,7-Trimethoxycoumarin SCHEMBL4743900 | 0.76 | ALDH1A1 (0.62) | ALDH1A1CYP3A4KDM4EMAPTCYP1B1 | |
| SCHEMBL19346062 | 0.74 | ALDH1A1 (0.72) | ALDH1A1CYP3A4KDM4EMAPTCYP1B1 | |
| SCHEMBL5794191 | 0.73 | CA12 (1.00) | ALDH1A1CYP3A4KDM4EMAPTCYP1B1 | |
| SCHEMBL9122678 | 0.73 | ALDH1A1 (0.71) | ALDH1A1CYP3A4KDM4ECYP1B1CYP1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013176955-A1 | CARDIOPROTECTIVE COMPOUNDS, THEIR USE WITH CHEMOTHERAPY, AND METHODS FOR IDENTIFYING THEM | THE GENERAL HOSPITAL CORPORATION (US) | 2013-11-28 | — | — | WO | disclosed |