Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL9815018 | 1.00 | ALDH1A1 (0.57) | ALDH1A1TSHRCYP1A2CYP2C9PTGS1 | |
| SCHEMBL119153 | 0.86 | ALDH1A1 (0.59) | ALDH1A1TSHRCYP1A2HDAC1KDM4E | |
| SCHEMBL119154 | 0.86 | ALDH1A1 (0.59) | ALDH1A1TSHRCYP1A2HDAC1KDM4E | |
| SCHEMBL7804952 | 0.81 | ALDH1A1 (0.57) | ALDH1A1TSHRCYP1A2PTGS1HDAC3 | |
| SCHEMBL9170656 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP1A2CYP2C9PTGS1 | |
| SCHEMBL11464547 | 0.80 | ALDH1A1 (0.67) | ALDH1A1TSHRKDM4EPOLBMEN1 | |
| SCHEMBL11459681 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP1A2CYP2C9PTGS1 | |
| SCHEMBL9166600 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP1A2CYP2C9PTGS1 | |
| SCHEMBL11459683 | 0.80 | ALDH1A1 (0.52) | ALDH1A1TSHRCYP1A2CYP2C9PTGS1 | |
| SCHEMBL11464546 | 0.80 | ALDH1A1 (0.67) | ALDH1A1TSHRKDM4EPOLBMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0447947-A1 | N-(3-Phenyl-2-methylpropyl and -methyl-prop-2-enyl)-azaheterocycles | BASF Aktiengesellschaft (DE) | 1991-09-25 | — | — | EP | disclosed |