Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | NPY1R | P25929 | 1/20 | 0.32 |
| ▸ | NPY2R | P49146 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.31 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23970513 | 0.80 | TDP1 (0.36) | TDP1CYP4F2CYP4A11 | |
| SCHEMBL23970517 | 0.75 | ALDH1A1 (0.40) | ALDH1A1TSHRJMJD6KDM4EMAPT | |
| SCHEMBL23970519 | 0.74 | ALDH1A1 (0.50) | ALDH1A1TSHRJMJD6KDM4EMAPT | |
| SCHEMBL14973187 | 0.68 | RAB9A (0.47) | ALDH1A1TSHRKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL21961377 | 0.67 | CYP1A2 (0.39) | ALDH1A1TSHRKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL16229739 | 0.66 | RAB9A (0.48) | ALDH1A1TSHRKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL31053389 | 0.65 | NR4A3 (0.41) | ALDH1A1TSHRKDM4ESMN1; SMN2TDP1 | |
| SCHEMBL827863 | 0.64 | TSHR (0.70) | ALDH1A1TSHRJMJD6KDM4EMAPT | |
| SCHEMBL14973205 | 0.62 | ALDH1A1 (0.47) | ALDH1A1TSHRJMJD6KDM4EMAPT | |
| SCHEMBL13126459 | 0.62 | PDE4B (0.44) | ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A |
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-2021222353-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |