Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.57 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.57 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.57 |
| ▸ | MAPT | P10636 | 5/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | HPGD | P15428 | 4/20 | 0.57 |
| ▸ | POLB | P06746 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | ESR1 | P03372 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.57 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.57 |
| ▸ | RELA | Q04206 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.54 |
| ▸ | HTR7 | P34969 | 3/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL14345951 | 0.85 | CYP1A2 (0.57) | CYP1A2KDM4ECYP1A1CYP1B1MAPT | |
| SCHEMBL14345747 | 0.83 | CYP1A1 (0.51) | CYP1A2KDM4ECYP1A1CYP1B1MAPT | |
| SCHEMBL14345707 | 0.83 | CYP1A2 (0.65) | CYP1A2KDM4ECYP1A1CYP1B1MAPT | |
| SCHEMBL14345706 | 0.81 | CYP1A2 (0.53) | CYP1A2KDM4ECYP1A1CYP1B1MAPT | |
| SCHEMBL14345728 | 0.78 | CYP1A2 (0.62) | CYP1A2KDM4ECYP1A1CYP1B1MAPT | |
| SCHEMBL14345762 | 0.75 | CYP1A2 (0.63) | CYP1A2KDM4ECYP1A1CYP1B1MAPT | |
| SCHEMBL4701411 | 0.74 | KDM4E (0.56) | CYP1A2KDM4ECYP1A1CYP1B1MAPT | |
| SCHEMBL31402832 | 0.72 | CYP1A1 (1.00) | CYP1A2KDM4ECYP1A1CYP1B1MAPT | |
| SCHEMBL4702182 | 0.72 | CYP1A2 (0.62) | CYP1A2KDM4ECYP1A1CYP1B1MAPT | |
| SCHEMBL4704080 | 0.71 | CYP1A2 (0.58) | CYP1A2KDM4ECYP1A1CYP1B1MAPT |
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-2007138081-A1 | PYRIMIDINO[1',6'-1,2]PYRIDO[3,4-b]INDOLE DERIVATIVES AND THEIR THERAPEUTIC USAGE | FOURTILLAN (FR) | 2007-12-06 | — | — | WO | disclosed |