Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.61 |
| ▸ | TP53 | P04637 | 3/20 | 0.61 |
| ▸ | HPGD | P15428 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 5/20 | 0.60 |
| ▸ | RAB9A | P51151 | 5/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.60 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.60 |
| ▸ | RELA | Q04206 | 2/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.55 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.55 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.55 |
| ▸ | GALK1 | P51570 | 1/20 | 0.55 |
| ▸ | FLT3 | P36888 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL5592854 | 0.89 | TP53 (0.69) | SMN1; SMN2ALDH1A1TP53HPGDNPC1 | |
| Trifluoroacetic Acid SCHEMBL27846344 | 0.83 | FLT3 (0.59) | SMN1; SMN2ALDH1A1TP53HPGDNPC1 | |
| Trifluoroacetic Acid SCHEMBL28751252 | 0.82 | FLT3 (0.57) | SMN1; SMN2ALDH1A1TP53HPGDNPC1 | |
| Tert-Butyl Formate SCHEMBL28177432 | 0.78 | TAS1R3 (0.53) | SMN1; SMN2ALDH1A1TP53HPGDNPC1 | |
| SCHEMBL4055368 | 0.78 | FLT3 (0.56) | SMN1; SMN2ALDH1A1TP53HPGDNPC1 | |
| SCHEMBL28891069 | 0.76 | NPC1 (0.68) | SMN1; SMN2ALDH1A1TP53HPGDNPC1 | |
| SCHEMBL13485789 | 0.76 | NPC1 (0.68) | SMN1; SMN2ALDH1A1TP53HPGDNPC1 | |
| SCHEMBL11379610 | 0.76 | SMN1; SMN2 (0.73) | SMN1; SMN2ALDH1A1TP53HPGDNPC1 | |
| SCHEMBL19476629 | 0.76 | TP53 (1.00) | SMN1; SMN2ALDH1A1TP53HPGDNPC1 | |
| SCHEMBL5866982 | 0.75 | NPC1 (1.00) | SMN1; SMN2ALDH1A1TP53HPGDNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006027211-A1 | 2,4-SUBSTITUTED PYRIMIDINES AS CYSTEINE PROTEASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2006-03-16 | — | — | WO | disclosed |