Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28825047 | 0.88 | CYP1A1 (0.48) | CYP1A1CYP1A2CYP1B1MEN1KMT2A | |
| SCHEMBL4952797 | 0.82 | MEN1 (0.45) | CYP1A1CYP1A2CYP1B1MEN1KMT2A | |
| SCHEMBL1127579 | 0.74 | CYP1A2 (0.52) | CYP1A1CYP1A2CYP1B1ALDH1A1MAOB | |
| Cyanide SCHEMBL21808145 | 0.72 | CYP1A1 (0.52) | CYP1A1CYP1A2CYP1B1ALDH1A1MAOB | |
| SCHEMBL3088081 | 0.71 | CYP1A2 (0.50) | CYP1A1CYP1A2CYP1B1ALDH1A1MAOB | |
| SCHEMBL28452710 | 0.71 | TP53 (0.46) | CYP1A1CYP1A2CYP1B1MEN1KMT2A | |
| SCHEMBL28859310 | 0.71 | CYP1A2 (0.41) | CYP1A1CYP1A2CYP1B1ALDH1A1MAOB | |
| SCHEMBL181108 | 0.70 | MEN1 (0.70) | CYP1A1CYP1A2CYP1B1MEN1KMT2A | |
| SCHEMBL13618845 | 0.70 | MEN1 (0.70) | CYP1A1CYP1A2CYP1B1MEN1KMT2A | |
| Benzene SCHEMBL28469748 | 0.70 | MEN1 (0.70) | CYP1A1CYP1A2CYP1B1MEN1KMT2A |
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-2008080060-A2 | 4-SE-THYMIDINE DERIVATIVES, 4-SE-URIDINE DERIVATIVES, DI (2-CYANOETHYL) DISELENIDE, AND METHODS | GEORGIA STATE UNIVERSITY (US) | 2008-07-03 | — | — | WO | disclosed |