Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 12/20 | 0.53 |
| ▸ | CALM1 | P0DP23 | 2/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7909538 | 0.89 | ABCB1 (0.60) | ABCB1CALM1PTPN1APPHTR1A | |
| SCHEMBL7909609 | 0.79 | ABCB1 (0.56) | ABCB1CALM1PTPN1HTR1ADRD2 | |
| SCHEMBL8721199 | 0.78 | ABCB1 (0.49) | ABCB1CALM1PTPN1APPHTR1A | |
| SCHEMBL7909614 | 0.76 | ABCB1 (0.53) | ABCB1CALM1PTPN1HTR1ADRD2 | |
| SCHEMBL8723189 | 0.76 | ABCB1 (0.52) | ABCB1CALM1PTPN1HTR1ADRD2 | |
| SCHEMBL11083926 | 0.75 | APP (0.65) | ABCB1APPHTR1ACA1CA2 | |
| SCHEMBL7917258 | 0.73 | ABCB1 (0.58) | ABCB1CALM1HTR1ADRD2ENPP2 | |
| SCHEMBL8241510 | 0.72 | ABCB1 (0.61) | ABCB1CALM1PTPN1HTR1ADRD2 | |
| SCHEMBL10183792 | 0.72 | LIPE (0.66) | ABCB1CALM1PTPN1HTR1ADRD2 | |
| SCHEMBL2549427 | 0.71 | ABCB1 (0.60) | ABCB1PTPN1HTR1ADRD2ENPP2 |
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-1998006691-A2 | LOW MOLECULAR WEIGHT DENDRITIC COMPOUNDS AS PHARMACEUTICAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1998-02-19 | — | — | WO | disclosed |