Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K4 | P45985 | 3/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | MAPKAPK3 | Q16644 | 1/20 | 0.53 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.53 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.50 |
| ▸ | WNT3A | P56704 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | TTK | P33981 | 2/20 | 0.49 |
| ▸ | ALPL | P05186 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.49 |
| ▸ | DHODH | Q02127 | 3/20 | 0.46 |
| ▸ | ITK | Q08881 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5822772 | 0.78 | MAP2K4 (0.60) | MAP2K4MAPK1MAPKAPK3MAPK6CTNNB1 | |
| SCHEMBL31357524 | 0.78 | MAP2K4 (0.60) | MAP2K4MAPK1MAPKAPK3MAPK6CTNNB1 | |
| SCHEMBL13373573 | 0.73 | DHODH (0.61) | MAP2K4MAPK1MAPKAPK3MAPK6DHODH | |
| SCHEMBL15826682 | 0.73 | MAP2K4 (0.48) | MAP2K4MAPK1MAPKAPK3MAPK6CTNNB1 | |
| SCHEMBL20278928 | 0.72 | MAPT (0.46) | MAP2K4MAPK1MAPK6ALPLDHODH | |
| SCHEMBL16981785 | 0.71 | MAP2K4 (0.63) | MAP2K4MAPK1MAPKAPK3MAPK6KDM4E | |
| SCHEMBL4920662 | 0.71 | FGFR1 (0.60) | MAP2K4MAPK1MAPKAPK3MAPK6KDM4E | |
| SCHEMBL28177130 | 0.71 | IDO1 (0.58) | MAP2K4KDM4EALDH1A1TTKALPL | |
| SCHEMBL20278930 | 0.70 | DHODH (0.42) | MAP2K4ALPLDHODHNPC1TP53 | |
| SCHEMBL3732433 | 0.70 | MAP2K4 (1.00) | MAP2K4MAPK1MAPKAPK3MAPK6KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014026327-A1 | 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF | MERCK SHARP & DOHME CORP. (US) | 2014-02-20 | — | — | WO | claimed |
| WO-2014026327-A1 | 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF | MERCK SHARP & DOHME CORP. (US) | 2014-02-20 | — | — | WO | disclosed |