Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.58 |
| ▸ | PAM | P19021 | 2/20 | 0.44 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.43 |
| ▸ | UNG | P13051 | 1/20 | 0.42 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Succinic Acid SCHEMBL28893487 | 0.89 | ALDH1A1 (0.67) | ALDH1A1CYP2A6PAMKEAP1KMT2A | |
| Succinic Acid SCHEMBL28116705 | 0.89 | ALDH1A1 (0.67) | ALDH1A1CYP2A6PAMKEAP1KMT2A | |
| Benzaldehyde SCHEMBL28862077 | 0.84 | ALDH1A1 (0.74) | ALDH1A1CYP2A6PAMKMT2AUNG | |
| Benzaldehyde SCHEMBL27808727 | 0.84 | ALDH1A1 (0.74) | ALDH1A1CYP2A6PAMKMT2AUNG | |
| Benzaldehyde SCHEMBL2895864 | 0.83 | ALDH1A1 (0.58) | ALDH1A1CYP2A6PAMKEAP1KMT2A | |
| Benzaldehyde SCHEMBL28078416 | 0.82 | ALDH1A1 (0.56) | ALDH1A1CYP2A6PAMKEAP1KMT2A | |
| Benzaldehyde SCHEMBL11228895 | 0.80 | ALDH1A1 (0.67) | ALDH1A1CYP2A6PAMKMT2AUNG | |
| Benzaldehyde SCHEMBL28122866 | 0.80 | ALDH1A1 (0.67) | ALDH1A1CYP2A6PAMKMT2AUNG | |
| Benzaldehyde SCHEMBL7762594 | 0.79 | ALDH1A1 (0.82) | ALDH1A1CYP2A6PAMKMT2AUNG | |
| Benzaldehyde SCHEMBL7190600 | 0.79 | ALDH1A1 (0.82) | ALDH1A1CYP2A6PAMKMT2AUNG |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105732919-A | Preparation method of porphyrin-containing temperature/multi-metal-ion-responsive block copolymer gel | 同济大学 | 2016-07-06 | — | — | CN | claimed |
| CN-105732919-A | Preparation method of porphyrin-containing temperature/multi-metal-ion-responsive block copolymer gel | 同济大学 | 2016-07-06 | — | — | CN | disclosed |