Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.35 |
| ▸ | TSHR | P16473 | 5/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11957289 | 0.77 | CYP2D6 (0.36) | CYP2D6CYP3A4TSHRCYP2C19CYP1A2 | |
| SCHEMBL7883223 | 0.74 | CYP19A1 (0.40) | CYP2D6CYP3A4TSHRCYP2C19CYP1A2 | |
| SCHEMBL6617779 | 0.72 | CYP2D6 (0.43) | CYP2D6CYP3A4TSHRCYP2C19CYP1A2 | |
| SCHEMBL7967509 | 0.67 | KDM4E (0.49) | CYP3A4KDM4ELMNAALDH1A1GAA | |
| SCHEMBL1011407 | 0.66 | ADRA2A (0.39) | CYP2D6CYP3A4TSHRCYP2C19CYP1A2 | |
| SCHEMBL161389 | 0.65 | KDM4E (0.42) | CYP2D6CYP3A4TSHRCYP2C19CYP1A2 | |
| SCHEMBL8030025 | 0.65 | DRD2 (0.44) | CYP2D6CYP3A4TSHRCYP2C19CYP1A2 | |
| SCHEMBL11957290 | 0.64 | MGAM (0.39) | CYP2D6CYP3A4TSHRCYP2C19CYP1A2 | |
| SCHEMBL9814122 | 0.64 | KCNH2 (0.39) | CYP2D6CYP3A4TSHRCYP2C19CYP1A2 | |
| SCHEMBL9325484 | 0.64 | ADRA2A (0.47) | ADRA2AADRA2BADRA2CALDH1A1GAA |
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-5981541-A | ACRIDINE DERIVATIVES; ANTICANCER AGENTS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 1999-11-09 | — | — | US | disclosed |