Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.54 |
| ▸ | DHODH | Q02127 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | METAP1 | P53582 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8334151 | 0.88 | ADORA3 (0.46) | CYP2C9CYP3A4ADORA3DHODHNPSR1 | |
| SCHEMBL8335356 | 0.87 | KDM4E (0.52) | CYP2C9CYP3A4ADORA3DHODHNPSR1 | |
| SCHEMBL8334494 | 0.87 | KMT2A (0.48) | CYP2C9CYP3A4ADORA3NPSR1TDP1 | |
| SCHEMBL8335971 | 0.87 | ADORA3 (0.45) | CYP2C9CYP3A4ADORA3DHODHNPSR1 | |
| SCHEMBL8335315 | 0.87 | ADORA3 (0.45) | CYP2C9CYP3A4ADORA3DHODHNPSR1 | |
| SCHEMBL8335283 | 0.87 | NPSR1 (0.51) | CYP2C9CYP3A4ADORA3DHODHNPSR1 | |
| SCHEMBL7965613 | 0.84 | CYP2C9 (0.55) | CYP2C9CYP3A4ADORA3DHODHNPSR1 | |
| SCHEMBL13243235 | 0.83 | CYP3A4 (0.53) | CYP2C9CYP3A4DHODHNPSR1TDP1 | |
| SCHEMBL8334301 | 0.83 | METAP1 (0.49) | ADORA3NPSR1KDM4EMETAP1LMNA | |
| SCHEMBL10506477 | 0.81 | KDM4E (0.61) | CYP2C9CYP3A4DHODHTDP1ALDH1A1 |
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-6187928-B1 | TREATING FUNGAL DISEASES | THE ROCKEFELLER UNIVERSITY | 2001-02-13 | — | — | US | disclosed |
| US-6087510-A | Method of use of imidazolium cations | THE ROCKEFELLER UNIVERSITY (US) | 2000-07-11 | — | — | US | disclosed |
| US-5874587-A | FLUORESCENCE | THE ROCKEFELLER UNIVERSITY (US) | 1999-02-23 | — | — | US | disclosed |