Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | HPGD | P15428 | 6/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | CASP1 | P29466 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | CASP7 | P55210 | 1/20 | 0.36 |
| ▸ | CASP9 | P55211 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3617799 | 0.94 | ALDH1A1 (0.43) | ALDH1A1KDM4EHPGDHSD17B10TSHR | |
| SCHEMBL3650395 | 0.86 | PTGDR2 (0.40) | ALDH1A1KDM4EHPGDHSD17B10TSHR | |
| SCHEMBL14037706 | 0.86 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDHSD17B10TSHR | |
| SCHEMBL3622315 | 0.82 | POLB (0.39) | ALDH1A1KDM4EHPGDHSD17B10CASP1 | |
| SCHEMBL14038318 | 0.81 | PTGDR2 (0.37) | ALDH1A1KDM4EHPGDHSD17B10CASP1 | |
| SCHEMBL3618903 | 0.81 | PTGDR2 (0.37) | ALDH1A1KDM4EHPGDHSD17B10CASP1 | |
| SCHEMBL3659340 | 0.81 | KMT2A (0.36) | TSHRGAAKMT2AGLASMN1; SMN2 | |
| SCHEMBL27362901 | 0.79 | FTO (0.33) | — | |
| SCHEMBL12434166 | 0.77 | ESR1 (0.36) | ALDH1A1HPGDESR1 | |
| SCHEMBL14397590 | 0.76 | PTPN1 (0.40) | ALDH1A1TSHRMAPTSMN1; SMN2CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4148656-A | SPIROCHROMAN COUPLERS | KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) | 1979-04-10 | — | — | US | disclosed |