Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.42 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | IDH1 | O75874 | 4/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.39 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | BCR | P11274 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9158343 | 0.91 | CA2 (0.53) | CYP1A2CYP2C9CYP2C19KDM4ENPC1 | |
| SCHEMBL8824445 | 0.85 | KDM4E (0.55) | CYP1A2KDM4ENPC1CA2CA1 | |
| SCHEMBL26424745 | 0.80 | KDM4E (0.45) | CYP1A2CYP2C9CYP2C19KDM4ENPC1 | |
| SCHEMBL11124529 | 0.78 | ALDH1A1 (0.46) | CYP1A2CYP2C9CYP2C19KDM4ENPC1 | |
| SCHEMBL13840639 | 0.77 | CYP1A2 (0.78) | CYP1A2CYP2C9CYP2C19CA2CA1 | |
| SCHEMBL29015802 | 0.77 | CYP1A2 (0.71) | CYP1A2CYP2C9CYP2C19CA2CA1 | |
| SCHEMBL2343165 | 0.76 | CYP2C9 (1.00) | CYP1A2CYP2C9CYP2C19KDM4ECA2 | |
| SCHEMBL13799185 | 0.75 | KDM4E (0.58) | CYP1A2CYP2C9CYP2C19KDM4ENPC1 | |
| SCHEMBL18645764 | 0.74 | MAOA (0.44) | CYP1A2KDM4ENPC1PTGS1PTGS2 | |
| SCHEMBL16581433 | 0.74 | CYP1A2 (0.78) | CYP1A2CYP2C9CYP2C19CA2CA1 |
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-2017044889-A1 | LRH-1 MODULATORS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-03-16 | — | — | WO | disclosed |