Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL7047345 | 0.86 | MAPT (0.51) | ALDH1A1KDM4EMAPTGAACASP1 | |
| SCHEMBL7047346 | 0.86 | MAPT (0.51) | ALDH1A1KDM4EMAPTGAACASP1 | |
| SCHEMBL3743077 | 0.80 | KDM4E (0.67) | ALDH1A1KDM4EMAPTGAACASP1 | |
| SCHEMBL27733137 | 0.80 | KDM4E (0.44) | ALDH1A1KDM4EMAPTGAACASP1 | |
| SCHEMBL27361702 | 0.80 | CHRNB2 (0.49) | ALDH1A1KDM4EMAPTGAACASP1 | |
| Hydrochloric Acid SCHEMBL28521562 | 0.79 | KDM4E (0.65) | ALDH1A1KDM4EMAPTGAACASP1 | |
| SCHEMBL6882102 | 0.79 | HTT (0.55) | ALDH1A1KDM4EMAPTGAACASP1 | |
| Water SCHEMBL11540986 | 0.77 | HTT (0.53) | ALDH1A1KDM4EMAPTGAACASP1 | |
| SCHEMBL5459223 | 0.76 | ALDH1A1 (0.50) | ALDH1A1KDM4EMAPTGAACASP1 | |
| SCHEMBL10685190 | 0.75 | KDM4E (0.64) | ALDH1A1KDM4EMAPTGAACASP1 |
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-0991645-A1 | BIS-INDOLE DERIVATIVES HAVING ANTIMETASTATIC ACTIVITY, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | Roche Diagnostics GmbH (DE) | 2000-04-12 | — | — | EP | disclosed |
| WO-1999000381-A1 | BIS-INDOLE DERIVATIVES HAVING ANTIMETASTATIC ACTIVITY, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ROCHE DIAGNOSTICS GMBH (DE) | 1999-01-07 | — | — | WO | disclosed |