Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | SETD7 | Q8WTS6 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9264709 | 0.85 | MAPT (0.58) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL9062521 | 0.83 | CES2 (0.72) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL27575567 | 0.81 | TSHR (0.64) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL27769205 | 0.81 | ALDH1A1 (0.59) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL31103641 | 0.80 | MEN1 (0.76) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL1572442 | 0.80 | MEN1 (0.76) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL18300806 | 0.79 | KMT2A (0.60) | ALDH1A1CES2CES1TP53TSHR | |
| SCHEMBL7319345 | 0.79 | ALDH1A1 (0.57) | ALDH1A1CES2CES1TP53TSHR | |
| Methane SCHEMBL28043489 | 0.78 | MEN1 (0.74) | ALDH1A1CES2CES1TP53TSHR | |
| Fluoride SCHEMBL28307367 | 0.78 | MEN1 (0.74) | ALDH1A1CES2CES1TP53TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-111683927-A | Modulators of indoleamine 2, 3-dioxygenase | 葛兰素史克知识产权开发有限公司 | 2020-09-18 | — | — | CN | disclosed |