Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL15173640 | 0.72 | CYP19A1 (0.56) | CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL1126872 | 0.72 | CA12 (0.41) | ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL1126768 | 0.68 | HTR2A (0.41) | TAAR1TSHRKDM5AKDM5B | |
| SCHEMBL12605596 | 0.67 | ALDH1A1 (0.40) | TAAR1ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL29351396 | 0.67 | TAAR1 (0.71) | TAAR1GPR52IDO1ALDH1A1TSHR | |
| SCHEMBL6738136 | 0.67 | TAAR1 (0.71) | TAAR1GPR52IDO1ALDH1A1TSHR | |
| SCHEMBL28196405 | 0.66 | CYP11B1 (0.53) | CYP19A1IDO1CYP11B1CYP11B2 | |
| SCHEMBL1126758 | 0.65 | CA2 (0.43) | ALDH1A1 | |
| SCHEMBL1127117 | 0.63 | KDM4E (0.39) | CYP19A1ALDH1A1CYP11B1CYP11B2 | |
| SCHEMBL16867182 | 0.63 | IDH1 (0.36) | CYP19A1ALDH1A1CYP11B1CYP11B2 |
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-6469171-B1 | NON-TOXIC MODULATORS OF THE MULTIDRUG RESISTANT PHENOTYPE | THE AUSTRALIAN NATIONAL UNIVERSITY (AU) | 2002-10-22 | — | — | US | disclosed |