Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | TSHR | P16473 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | TPMT | P51580 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL15570068 | 0.86 | CYP3A4 (0.54) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7433697 | 0.85 | CYP3A4 (0.57) | CYP3A4CYP1A2CYP2C19POLBKMT2A | |
| SCHEMBL15569922 | 0.83 | POLB (0.51) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9362833 | 0.82 | CYP3A4 (0.50) | CYP3A4CYP1A2CYP2C19POLBKMT2A | |
| SCHEMBL16361704 | 0.82 | CYP3A4 (0.50) | CYP3A4CYP1A2CYP2C9CYP2C19POLB | |
| Ethylene SCHEMBL6569147 | 0.81 | POLB (0.52) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL12682379 | 0.79 | CYP3A4 (0.75) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL16913355 | 0.78 | POLB (0.52) | CYP3A4POLBKMT2ANPSR1MAPT | |
| SCHEMBL16913173 | 0.78 | POLB (0.46) | CYP3A4POLBKMT2AGAANPSR1 | |
| SCHEMBL1493250 | 0.77 | CYP1A2 (1.00) | CYP3A4TSHRCYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-4322346-A | 5H-2,3-Benzodiazepine derivatives | KOROSI JENO | 1982-03-30 | — | — | US | disclosed |