Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 7/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.40 |
| ▸ | GRM5 | P41594 | 1/20 | 0.40 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4713319 | 0.78 | KMT2A (0.52) | MEN1KMT2AALDH1A1NPSR1HPGD | |
| SCHEMBL4713317 | 0.78 | KMT2A (0.52) | MEN1KMT2AALDH1A1NPSR1HPGD | |
| SCHEMBL24074917 | 0.73 | ALDH1A1 (0.51) | MEN1KMT2AALDH1A1NPSR1HPGD | |
| SCHEMBL19603513 | 0.73 | MAPT (0.67) | MEN1KMT2AALDH1A1NPSR1SMN1; SMN2 | |
| SCHEMBL4710976 | 0.71 | ALDH1A1 (0.67) | MEN1KMT2AALDH1A1NPSR1HPGD | |
| SCHEMBL4710977 | 0.71 | ALDH1A1 (0.67) | MEN1KMT2AALDH1A1NPSR1HPGD | |
| SCHEMBL27497942 | 0.69 | MEN1 (0.48) | MEN1KMT2AALDH1A1NPSR1HPGD | |
| SCHEMBL9088028 | 0.68 | ALDH1A1 (0.56) | MEN1KMT2AALDH1A1NPSR1HPGD | |
| SCHEMBL9088025 | 0.68 | ALDH1A1 (0.56) | MEN1KMT2AALDH1A1NPSR1HPGD | |
| SCHEMBL8516158 | 0.68 | TSHR (0.41) | MEN1KMT2AALDH1A1HPGDRAB9A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3455215-A1 | PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | ViiV Healthcare UK (No.5) Limited (GB) | 2019-03-20 | — | — | EP | disclosed |
| WO-2017195113-A1 | PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION | VIIV Healthcare UK (No.5) Limited (GB) | 2017-11-16 | — | — | WO | disclosed |