Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 4/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.34 |
| ▸ | NPC1 | O15118 | 5/20 | 0.33 |
| ▸ | RAB9A | P51151 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | STAT1 | P42224 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL23458508 | 0.92 | S1PR1 (0.38) | S1PR1TP53LMNATHRBMAPT | |
| SCHEMBL23486158 | 0.87 | RAB9A (0.38) | TP53LMNATHRBKDM4ENPC1 | |
| Bromide SCHEMBL23458436 | 0.86 | RAB9A (0.38) | TP53LMNATHRBKDM4ENPC1 | |
| SCHEMBL23486248 | 0.82 | TP53 (0.49) | TP53LMNATHRBKDM4ENPC1 | |
| SCHEMBL23458511 | 0.82 | S1PR1 (0.33) | S1PR1MAPT | |
| SCHEMBL23486249 | 0.81 | KDM4E (0.34) | LMNAKDM4ENPC1RAB9AALDH1A1 | |
| Hydrochloric Acid SCHEMBL23458577 | 0.80 | KDM4E (0.33) | LMNAKDM4ENPC1RAB9AALDH1A1 | |
| SCHEMBL23486136 | 0.77 | PTGDR2 (0.34) | TP53LMNATHRBKDM4ENPC1 | |
| SCHEMBL23197341 | 0.76 | KDM4E (0.34) | S1PR1KDM4EMAPTALDH1A1HPGD | |
| SCHEMBL1924304 | 0.75 | MAOB (0.46) | LMNAKDM4ENPC1RAB9AMAPT |
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-2021110890-A1 | PYRIDINIUM DERIVATIVES AS HERBICIDES | SYNGENTA CROP PROTECTION AG (CH) | 2021-06-10 | — | — | WO | disclosed |