Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSIP1 | O75475 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA6 | P23280 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL1920849 | 0.82 | KMT2A (0.58) | SMN1; SMN2KMT2AALDH1A1MEN1 | |
| SCHEMBL27839480 | 0.74 | USP2 (0.61) | PSIP1CA2CA1CA9CA12 | |
| SCHEMBL28818276 | 0.74 | PSIP1 (0.36) | PSIP1CA2CA1CA9CA12 | |
| SCHEMBL28818277 | 0.73 | PSIP1 (0.35) | PSIP1CA2CA1CA9CA12 | |
| SCHEMBL6302757 | 0.71 | USP2 (0.68) | MAPTSMN1; SMN2KMT2AUSP2ALDH1A1 | |
| SCHEMBL568444 | 0.71 | SMN1; SMN2 (0.76) | SMN1; SMN2KMT2AUSP2MEN1L3MBTL1 | |
| SCHEMBL5018821 | 0.70 | USP2 (0.71) | SMN1; SMN2KMT2AUSP2NPSR1ALDH1A1 | |
| SCHEMBL12622062 | 0.69 | L3MBTL1 (0.55) | KDM4EALDH1A1L3MBTL1 | |
| SCHEMBL506696 | 0.68 | PSIP1 (1.00) | PSIP1CA2CA1CA9CA12 | |
| SCHEMBL5034018 | 0.68 | CA1 (0.47) | PSIP1CA2CA1CA9CA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102176828-A | Antifungal agents | MERCK SHARP & DOHME | 2011-09-07 | — | — | CN | disclosed |
| CN-102176827-A | Antifungal formulations | MERCK SHARP & DOHME | 2011-09-07 | — | — | CN | disclosed |