Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 3/20 | 0.41 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6310661 | 1.00 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDL3MBTL1TDP1 | |
| SCHEMBL2837763 | 0.73 | RECQL (0.42) | ALDH1A1KDM4EHPGDRECQLNPC1 | |
| SCHEMBL4674459 | 0.72 | ALDH1A1 (0.64) | ALDH1A1HPGDMEN1KMT2ARECQL | |
| SCHEMBL2837762 | 0.72 | HSP90AA1 (0.75) | ALDH1A1KDM4EHPGDMEN1KMT2A | |
| SCHEMBL10414698 | 0.69 | MAOA (0.66) | L3MBTL1TDP1NPC1MAPTRAB9A | |
| SCHEMBL2828515 | 0.69 | MAOA (0.66) | L3MBTL1TDP1NPC1MAPTRAB9A | |
| SCHEMBL31634592 | 0.69 | MAOA (0.66) | L3MBTL1TDP1NPC1MAPTRAB9A | |
| SCHEMBL10466225 | 0.69 | LTA4H (0.50) | ALDH1A1HPGDMEN1KMT2ARECQL | |
| SCHEMBL12153394 | 0.67 | RECQL (0.51) | ALDH1A1KDM4EHPGDMEN1KMT2A | |
| SCHEMBL20841817 | 0.66 | MAOA (0.47) | ALDH1A1HPGDL3MBTL1TDP1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6887658-B2 | Methods of identifying non-specific inhibitors of biomolecules | NORTHWESTERN UNIVERSITY (US) | 2005-05-03 | — | — | US | disclosed |
| US-20040234942-A1 | METHODS OF IDENTIFYING NON-SPECIFIC INHIBITORS OF BIOMOLECULES | NORTHWESTERN UNIVERSITY | 2004-11-25 | — | — | US | disclosed |