Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | JMJD6 | Q6NYC1 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NPY1R | P25929 | 1/20 | 0.36 |
| ▸ | NPY2R | P49146 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2315523 | 0.83 | RAB9A (0.48) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL26654708 | 0.77 | CYP1A2 (0.49) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL23970512 | 0.74 | ALDH1A1 (0.42) | ALDH1A1TSHRJMJD6NPC1RAB9A | |
| SCHEMBL30696931 | 0.73 | RAB9A (0.45) | ALDH1A1TSHRNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL11971062 | 0.72 | SMN1; SMN2 (0.40) | ALDH1A1NPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL4628560 | 0.72 | TSHR (0.61) | ALDH1A1TSHRJMJD6NPC1RAB9A | |
| SCHEMBL23970517 | 0.72 | ALDH1A1 (0.40) | ALDH1A1TSHRJMJD6NPC1RAB9A | |
| SCHEMBL826742 | 0.71 | SMN1; SMN2 (0.41) | ALDH1A1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL827863 | 0.70 | TSHR (0.70) | ALDH1A1TSHRJMJD6NPC1RAB9A | |
| SCHEMBL23693030 | 0.70 | ALDH1A1 (0.42) | ALDH1A1TSHRJMJD6NPC1RAB9A |
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 |