Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.87 |
| ▸ | LMNA | P02545 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2001299 | 0.93 | ALDH1A1 (1.00) | ALDH1A1LMNANPC1MAPTKDM4E | |
| SCHEMBL29596733 | 0.90 | ALDH1A1 (0.70) | ALDH1A1LMNANPC1MAPTKDM4E | |
| SCHEMBL5787453 | 0.87 | ALDH1A1 (0.68) | ALDH1A1LMNANPC1MAPTKDM4E | |
| SCHEMBL5787444 | 0.87 | ALDH1A1 (0.68) | ALDH1A1LMNANPC1MAPTKDM4E | |
| SCHEMBL7038588 | 0.84 | ALDH1A1 (0.65) | ALDH1A1LMNANPC1MAPTKDM4E | |
| SCHEMBL4035324 | 0.83 | ALDH1A1 (0.60) | ALDH1A1LMNANPC1MAPTKDM4E | |
| SCHEMBL29392267 | 0.82 | ALDH1A1 (0.80) | ALDH1A1LMNANPC1MAPTKDM4E | |
| SCHEMBL1269180 | 0.82 | ALDH1A1 (0.80) | ALDH1A1LMNANPC1MAPTKDM4E | |
| SCHEMBL27873025 | 0.79 | ALDH1A1 (0.61) | ALDH1A1LMNANPC1MAPTKDM4E | |
| SCHEMBL14788668 | 0.78 | ALDH1A1 (0.64) | ALDH1A1NPC1MAPTKDM4ESMN1; SMN2 |
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-2513089-A1 | 3-(INDOLYL)- OR 3-(AZAINDOLYL)-4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT | Johannes Gutenberg-Universität Mainz (DE) | 2012-10-24 | — | — | EP | disclosed |
| WO-2011073092-A1 | 3-(INDOLYL)- OR 3-(AZAINDOLYL)-4-ARYLMALEIMIDE COMPOUNDS AND THEIR USE IN TUMOR TREATMENT | Johannes Gutenberg-Universität Mainz (DE) | 2011-06-23 | — | — | WO | disclosed |