Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | MAPT | P10636 | 7/20 | 0.53 |
| ▸ | MMP1 | P03956 | 2/20 | 0.53 |
| ▸ | MMP2 | P08253 | 2/20 | 0.53 |
| ▸ | MMP9 | P14780 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 9/20 | 0.52 |
| ▸ | NPC1 | O15118 | 7/20 | 0.52 |
| ▸ | MITF | O75030 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.50 |
| ▸ | HTT | P42858 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | STAT1 | P42224 | 1/20 | 0.50 |
| ▸ | RAF1 | P04049 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5804372 | 1.00 | TP53 (0.55) | TP53TSHRALDH1A1MAPTMMP1 | |
| SCHEMBL5804405 | 0.84 | RAB9A (0.56) | TP53TSHRALDH1A1MAPTMMP1 | |
| SCHEMBL5804407 | 0.84 | RAB9A (0.56) | TP53TSHRALDH1A1MAPTMMP1 | |
| SCHEMBL5805547 | 0.80 | NPC1 (0.52) | MAPTMMP1MMP2MMP9RAB9A | |
| SCHEMBL5805551 | 0.80 | NPC1 (0.52) | MAPTMMP1MMP2MMP9RAB9A | |
| SCHEMBL17084260 | 0.79 | TP53 (0.84) | TP53TSHRALDH1A1MAPTRAB9A | |
| SCHEMBL2264144 | 0.79 | TP53 (0.68) | TP53TSHRALDH1A1MAPTMMP1 | |
| SCHEMBL4893387 | 0.78 | TP53 (0.87) | TP53TSHRALDH1A1MAPTRAB9A | |
| SCHEMBL31040569 | 0.78 | TP53 (0.87) | TP53TSHRALDH1A1MAPTRAB9A | |
| SCHEMBL4123557 | 0.76 | TP53 (0.72) | TP53TSHRALDH1A1MAPTRAB9A |
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-2006069096-A1 | SILANOL DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | PHARMACYCLICS, INC. (US) | 2006-06-29 | — | — | WO | disclosed |