Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.31 |
| ▸ | LSS | P48449 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18012102 | 1.00 | PTPN1 (0.33) | PTPN1MEN1CYP3A4ALOX15KMT2A | |
| SCHEMBL18101204 | 0.96 | PTPN1 (0.32) | PTPN1MEN1CYP3A4ALOX15KMT2A | |
| SCHEMBL18101201 | 0.87 | MAPT (0.31) | MAPT | |
| SCHEMBL18012101 | 0.87 | MAPT (0.31) | MAPT | |
| SCHEMBL12059194 | 0.86 | MAPT (0.42) | MEN1CYP3A4ALOX15KMT2AMAPT | |
| SCHEMBL16137785 | 0.84 | — | — | |
| SCHEMBL8454747 | 0.78 | ESR2 (0.32) | MAPTALDH1A1 | |
| SCHEMBL16664317 | 0.78 | PTGS2 (0.36) | MEN1CYP3A4ALOX15KMT2AMAPT | |
| SCHEMBL16615681 | 0.78 | TSHR (0.33) | KMT2AMAPTALDH1A1 | |
| SCHEMBL15121071 | 0.77 | HDAC3 (0.42) | CYP3A4MAPTALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016187788-A1 | FUSED TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL FOR TREATING HIV INFECTION | MERCK SHARP & DOHME CORP. (US) | 2016-12-01 | — | — | WO | disclosed |
| WO-2016191239-A1 | FUSED TRICYCLIC HETEROCYCLIC COMPOUNDS USEFUL FOR TREATING HIV INFECTION | MERCK SHARP & DOHME CORP. (US) | 2016-12-01 | — | — | WO | disclosed |
| WO-2016154527-A1 | PHOSPHATE-SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-09-29 | — | — | WO | disclosed |
| WO-2015048363-A1 | SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-04-02 | — | — | WO | disclosed |