Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.41 |
| ▸ | MELK | Q14680 | 1/20 | 0.41 |
| ▸ | STK24 | Q9Y6E0 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | ALB | P02768 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1913575 | 0.85 | ALDH1A1 (0.52) | TYMSTDP1ALDH1A1TSHRMAPT | |
| SCHEMBL32674585 | 0.85 | ALDH1A1 (0.52) | TYMSTDP1ALDH1A1TSHRMAPT | |
| SCHEMBL29448254 | 0.78 | TDP1 (0.60) | TDP1ALDH1A1TSHRMAPTCYP3A4 | |
| SCHEMBL24548 | 0.78 | TDP1 (0.60) | TDP1ALDH1A1TSHRMAPTCYP3A4 | |
| SCHEMBL15801775 | 0.77 | ALDH1A1 (0.49) | TYMSTDP1ALDH1A1TSHRMAPT | |
| 1-Nitropyrene SCHEMBL8019945 | 0.76 | ALDH1A1 (0.47) | TYMSTDP1ALDH1A1TSHRMAPT | |
| SCHEMBL1135597 | 0.76 | ALDH1A1 (0.60) | TDP1ALDH1A1TSHRMAPTCYP3A4 | |
| SCHEMBL7985136 | 0.76 | ALDH1A1 (0.60) | TDP1ALDH1A1TSHRMAPTCYP3A4 | |
| SCHEMBL11818622 | 0.76 | ALDH1A1 (0.61) | TDP1ALDH1A1TSHRMAPTCYP3A4 | |
| SCHEMBL29709948 | 0.76 | ALDH1A1 (0.61) | TDP1ALDH1A1TSHRMAPTCYP3A4 |
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-4024144-A | SULFONIC ACID GROUPS | BAYER AKTIENGESELLSCHAFT (DT) | 1977-05-17 | — | — | US | disclosed |