Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL326886 | 1.00 | KMT2A (0.50) | KMT2AALDH1A1MEN1TDP1HSP90AA1 | |
| SCHEMBL31083097 | 0.86 | ALDH1A1 (0.43) | KMT2AALDH1A1MEN1TDP1HSP90AA1 | |
| SCHEMBL672549 | 0.76 | KMT2A (0.52) | KMT2AALDH1A1MEN1TDP1HSP90AA1 | |
| SCHEMBL672550 | 0.76 | KMT2A (0.52) | KMT2AALDH1A1MEN1TDP1HSP90AA1 | |
| SCHEMBL5490767 | 0.75 | NFE2L2 (0.56) | KMT2AALDH1A1MEN1TDP1HSP90AA1 | |
| SCHEMBL5490769 | 0.75 | NFE2L2 (0.56) | KMT2AALDH1A1MEN1TDP1HSP90AA1 | |
| SCHEMBL2090950 | 0.74 | KMT2A (0.50) | KMT2AALDH1A1MEN1TDP1HSP90AA1 | |
| SCHEMBL3434659 | 0.74 | KMT2A (0.50) | KMT2AALDH1A1MEN1TDP1HSP90AA1 | |
| SCHEMBL2090946 | 0.74 | KMT2A (0.50) | KMT2AALDH1A1MEN1TDP1HSP90AA1 | |
| SCHEMBL31265288 | 0.74 | ALDH1A1 (0.54) | KMT2AALDH1A1MEN1HSP90AA1LMNA |
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-2590955-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBVIE B.V. (NL) | 2013-05-15 | — | — | EP | disclosed |
| WO-2012004378-A1 | SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS | ABBOTT HEALTHCARE PRODUCTS B.V. (NL) | 2012-01-12 | — | — | WO | disclosed |