Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL3364136 | 0.84 | ALDH1A1 (0.33) | KDM4EALDH1A1HPGDKMT2AMEN1 | |
| SCHEMBL3366444 | 0.81 | ESR2 (0.33) | ALDH1A1HPGDHTTSMN1; SMN2 | |
| SCHEMBL3363545 | 0.77 | HTR2A (0.36) | GAAL3MBTL1 | |
| SCHEMBL18783777 | 0.74 | ALDH1A1 (0.47) | KDM4EALDH1A1PKMHPGDTSHR | |
| SCHEMBL30304115 | 0.73 | KMT2A (0.56) | KDM4EALDH1A1PKMHPGDTSHR | |
| SCHEMBL14785176 | 0.73 | KMT2A (0.56) | KDM4EALDH1A1PKMHPGDTSHR | |
| SCHEMBL30304244 | 0.72 | ALDH1A1 (0.54) | KDM4EALDH1A1PKMHPGDTSHR | |
| SCHEMBL29189167 | 0.72 | ALDH1A1 (0.54) | KDM4EALDH1A1PKMHPGDTSHR | |
| SCHEMBL30902394 | 0.72 | HPGD (0.64) | KDM4EALDH1A1PKMHPGDTSHR | |
| SCHEMBL1185190 | 0.72 | HPGD (0.64) | KDM4EALDH1A1PKMHPGDTSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-1996590-B1 | SPIROINDOLINONE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2010-10-06 | — | — | EP | disclosed |