Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 4/20 | 0.61 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | CA7 | P43166 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.52 |
| ▸ | KMO | O15229 | 1/20 | 0.52 |
| ▸ | TPMT | P51580 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | TP53 | P04637 | 2/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.50 |
| ▸ | RXRA | P19793 | 1/20 | 0.50 |
| ▸ | RXRB | P28702 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | CA3 | P07451 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL145349 | 0.97 | DHODH (0.58) | DHODHCA12CA1CA2CA7 | |
| SCHEMBL16271136 | 0.94 | DHODH (0.56) | DHODHCA12CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL28786184 | 0.94 | DHODH (0.56) | DHODHCA12CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL28650830 | 0.94 | DHODH (0.56) | DHODHCA12CA1CA2CA7 | |
| SCHEMBL12203147 | 0.94 | DHODH (0.57) | DHODHCA12CA1CA2CA7 | |
| SCHEMBL15521765 | 0.94 | DHODH (0.57) | DHODHCA12CA1CA2CA7 | |
| Water SCHEMBL28587831 | 0.94 | DHODH (0.56) | DHODHCA12CA1CA2CA7 | |
| Benzene SCHEMBL20211008 | 0.90 | CA12 (0.61) | DHODHCA12CA1CA2CA7 | |
| SCHEMBL1768904 | 0.89 | DHODH (0.77) | DHODHKMOTSHRDAONAPRT | |
| SCHEMBL27736451 | 0.89 | DHODH (0.77) | DHODHKMOTSHRDAONAPRT |
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-111909220-A | Nickel (II) metal organic complex based on 3,3',5,5' -biphenyltetracarboxylic acid and preparation method and application thereof | 河南省科学院化学研究所有限公司 | 2020-11-10 | — | — | CN | disclosed |