Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.53 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | DRD2 | P14416 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | FBP1 | P09467 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29236690 | 0.90 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2PDPK1LMNAPDE10A | |
| SCHEMBL19859620 | 0.89 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2PDPK1LMNAPDE10A | |
| SCHEMBL28161784 | 0.88 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2PDPK1LMNAPDE10A | |
| SCHEMBL201830 | 0.86 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2PDPK1LMNAPDE10A | |
| SCHEMBL8781194 | 0.83 | PDPK1 (0.57) | ALDH1A1SMN1; SMN2PDPK1LMNAPDE10A | |
| SCHEMBL14531016 | 0.81 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2PDPK1LMNAPDE10A | |
| SCHEMBL28360022 | 0.81 | TLR8 (0.43) | ALDH1A1TDP1CYP3A4DRD2HTR1A | |
| SCHEMBL8097167 | 0.80 | ALDH1A1 (0.56) | ALDH1A1LMNAPDE10ATDP1DRD2 | |
| SCHEMBL11443106 | 0.80 | MEN1 (0.42) | ALDH1A1SMN1; SMN2PDPK1TDP1CYP3A4 | |
| SCHEMBL6697206 | 0.80 | MEN1 (0.39) | ALDH1A1SMN1; SMN2PDPK1TDP1CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021219090-A1 | QUINOXALINE DIONE DERIVATIVE AS IRREVERSIBLE INHIBITOR OF KRAS G12C MUTANT PROTEIN | 北京泰德制药股份有限公司 (CN) | 2021-11-04 | — | — | WO | disclosed |
| US-5120872-A | Textile dyeing | CIBA-GEIGY CORPORATION (US) | 1992-06-09 | — | — | US | disclosed |
| US-4994563-A | Dyeing, printing cellulose, silk, wool, synthetic polyamides; colorfastness | CIBA-GEIGY CORPORATION (US) | 1991-02-19 | — | — | US | disclosed |
| EP-0349486-A2 | Azo dyes, their preparation and their use | CIBA-GEIGY AG (CH) | 1990-01-03 | — | — | EP | disclosed |