Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.45 |
| ▸ | PLAUR | Q03405 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | FNTA | P49354 | 1/20 | 0.43 |
| ▸ | FNTB | P49356 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14918607 | 0.81 | TP53 (0.53) | ALDH1A1TSHRCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11666368 | 0.75 | SMN1; SMN2 (0.46) | ALDH1A1TSHRLMNAPIN1PLAUR | |
| SCHEMBL14919172 | 0.74 | MEN1 (0.46) | ALDH1A1SMN1; SMN2TP53KMT2AKDM4E | |
| SCHEMBL28159144 | 0.74 | HPGD (0.61) | ALDH1A1TSHRKMT2AKDM4EHPGD | |
| SCHEMBL16038157 | 0.71 | FBP1 (0.41) | ALDH1A1TSHRSMN1; SMN2GAATP53 | |
| SCHEMBL16037020 | 0.71 | ALDH1A1 (0.37) | ALDH1A1LMNATP53 | |
| SCHEMBL16038154 | 0.71 | FBP1 (0.41) | ALDH1A1TSHRSMN1; SMN2GAATP53 | |
| SCHEMBL28746642 | 0.71 | ALDH1A1 (0.63) | ALDH1A1TSHRLMNACYP1A2CYP3A4 | |
| SCHEMBL20267430 | 0.70 | GAA (0.73) | ALDH1A1TSHRCYP1A2CYP3A4CYP2C9 | |
| SCHEMBL3996738 | 0.70 | TSHR (0.73) | ALDH1A1TSHRLMNACYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013066640-A1 | SUBSTITUTED PYRAZOLE ANALOGUES AS RAR ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2013-05-10 | — | — | WO | disclosed |