Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9652250 | 0.88 | ALDH1A1 (0.37) | ALDH1A1TDP1TP53TRPA1CHRNB2 | |
| SCHEMBL19066574 | 0.88 | ALDH1A1 (0.37) | ALDH1A1TDP1TP53TRPA1MAPT | |
| SCHEMBL810422 | 0.88 | TDP1 (0.39) | ALDH1A1TDP1TP53TRPA1CHRNB2 | |
| SCHEMBL810179 | 0.85 | ALDH1A1 (0.34) | ALDH1A1TDP1TP53TRPA1CHRNB2 | |
| SCHEMBL19066593 | 0.83 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL810315 | 0.83 | ALDH1A1 (0.40) | ALDH1A1TDP1TP53TRPA1TSHR | |
| SCHEMBL810172 | 0.83 | ALDH1A1 (0.40) | ALDH1A1TDP1TP53TRPA1TSHR | |
| SCHEMBL809759 | 0.82 | TYR (0.39) | ALDH1A1TDP1TP53TRPA1TSHR | |
| SCHEMBL18874549 | 0.82 | TP53 (0.35) | ALDH1A1TDP1TP53TRPA1 | |
| SCHEMBL809528 | 0.81 | TP53 (0.41) | ALDH1A1TDP1TP53TRPA1TSHR |
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-4467066-A | DIENE-VINYLARENE STAR POLYMER, POLYDIENE, VINYLARENE BLENDS | SHELL OIL COMPANY (US) | 1984-08-21 | — | — | US | disclosed |