Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | GLS | O94925 | 3/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | CASP2 | P42575 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL17276067 | 1.00 | ALDH1A1 (0.66) | ALDH1A1CYP3A4TSHRHSD17B10GLS | |
| SCHEMBL6708033 | 1.00 | ALDH1A1 (0.66) | ALDH1A1CYP3A4TSHRHSD17B10GLS | |
| SCHEMBL11126462 | 0.90 | ALDH1A1 (0.54) | ALDH1A1CYP3A4TSHRHSD17B10SMN1; SMN2 | |
| SCHEMBL27740737 | 0.85 | ALDH1A1 (0.62) | ALDH1A1CYP3A4TSHRHSD17B10GLS | |
| SCHEMBL27336664 | 0.84 | ALDH1A1 (0.46) | ALDH1A1CYP3A4MAPK1SMN1; SMN2KMT2A | |
| SCHEMBL17491377 | 0.84 | SMN1; SMN2 (0.48) | ALDH1A1CYP3A4MAPK1SMN1; SMN2KMT2A | |
| SCHEMBL10299137 | 0.84 | ALDH1A1 (0.70) | ALDH1A1CYP3A4TSHRHSD17B10GLS | |
| SCHEMBL12175072 | 0.84 | ALDH1A1 (0.70) | ALDH1A1CYP3A4TSHRHSD17B10GLS | |
| SCHEMBL1286155 | 0.84 | ALDH1A1 (0.70) | ALDH1A1CYP3A4TSHRHSD17B10GLS | |
| SCHEMBL493954 | 0.84 | ALDH1A1 (0.70) | ALDH1A1CYP3A4TSHRHSD17B10GLS |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016164401-A1 | TREATMENT OF LUNG CANCER WITH INHIBITORS OF GLUTAMINASE | CALITHERA BIOSCIENCES, INC. (US) | 2016-10-13 | — | — | WO | disclosed |
| WO-2009102325-A1 | IMIDAZOLYL BIPHENYL IMIDAZOLES AS HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-08-20 | — | — | WO | disclosed |
| WO-2008021927-A2 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-02-21 | — | — | WO | disclosed |