Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | PKM | P14618 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | KEAP1 | Q14145 | 2/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.48 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9146193 | 0.81 | ALDH1A1 (0.52) | ALDH1A1PKMACHEMAPTRAB9A | |
| SCHEMBL4429016 | 0.77 | KEAP1 (0.53) | ALDH1A1PKMTSHRACHEMAPT | |
| Iodide SCHEMBL30804629 | 0.75 | TSHR (0.73) | ALDH1A1PKMTSHRACHEMAPT | |
| Iodide SCHEMBL28598177 | 0.75 | TSHR (0.73) | ALDH1A1PKMTSHRACHEMAPT | |
| SCHEMBL12360611 | 0.74 | TSHR (0.78) | ALDH1A1PKMTSHRACHEMAPT | |
| SCHEMBL10373733 | 0.74 | ALDH1A1 (0.58) | ALDH1A1PKMTSHRACHEMAPT | |
| SCHEMBL12581402 | 0.73 | MAPT (0.47) | ALDH1A1TSHRMAPTRAB9ANPC1 | |
| SCHEMBL6738366 | 0.73 | TSHR (0.76) | ALDH1A1PKMTSHRACHEMAPT | |
| SCHEMBL18987190 | 0.72 | MAPT (0.51) | ALDH1A1PKMTSHRACHEMAPT | |
| SCHEMBL10460856 | 0.71 | CYP1A2 (0.38) | ALDH1A1PKMTSHRACHEMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-101296911-A | Arylurea derivatives as modulators of chemokine receptor activity | NOVARTIS AG (CH) | 2008-10-29 | — | — | CN | disclosed |