Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 2/20 | 0.36 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL28569210 | 0.87 | TDP1 (0.41) | TPMTHCAR1ALDH1A1CA12CA1 | |
| SCHEMBL29149101 | 0.81 | TPMT (0.39) | TPMTHCAR1ALDH1A1CA12CA1 | |
| SCHEMBL29149111 | 0.75 | ALDH1A1 (0.38) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL29149124 | 0.75 | FFAR1 (0.38) | ALDH1A1HSD17B10THRATHRB | |
| SCHEMBL11802918 | 0.68 | CA12 (0.56) | TPMTHCAR1ALDH1A1CA12CA1 | |
| SCHEMBL8476886 | 0.68 | GLRA1 (0.48) | TPMTCA12CA1CA2CA7 | |
| SCHEMBL4576605 | 0.67 | CA12 (0.62) | TPMTCA12CA1CA2CA7 | |
| SCHEMBL11760556 | 0.67 | TDP1 (0.45) | TPMTHCAR1ALDH1A1CA12CA1 | |
| SCHEMBL15427797 | 0.67 | ALDH1A1 (0.56) | TPMTHCAR1ALDH1A1CA12CA1 | |
| SCHEMBL8475531 | 0.67 | EGFR (0.41) | TPMTALDH1A1CA12CA1CA2 |
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-117447402-A | Aromatic hydrocarbon receptor modulator compound, and preparation method and application thereof | 德明药泰生物技术（深圳）有限公司 | 2024-01-26 | — | — | CN | disclosed |