Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 8/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL29075948 | 0.89 | ALDH1A1 (0.44) | ALDH1A1MAPTSMN1; SMN2CYP2D6KMT2A | |
| SCHEMBL6773584 | 0.88 | — | — | |
| SCHEMBL28703365 | 0.79 | — | — | |
| SCHEMBL4790582 | 0.79 | ALDH1A1 (0.53) | ALDH1A1MAPTSMN1; SMN2CYP2D6KMT2A | |
| SCHEMBL10730506 | 0.78 | ALDH1A1 (0.51) | ALDH1A1MAPTSMN1; SMN2CYP2D6KMT2A | |
| SCHEMBL29075983 | 0.77 | ALDH1A1 (0.46) | ALDH1A1MAPTSMN1; SMN2CYP2D6KMT2A | |
| Hydrochloric Acid SCHEMBL10725292 | 0.77 | ALDH1A1 (0.50) | ALDH1A1MAPTSMN1; SMN2CYP2D6KMT2A | |
| Bromide SCHEMBL11347475 | 0.77 | ALDH1A1 (0.50) | ALDH1A1MAPTSMN1; SMN2CYP2D6KMT2A | |
| SCHEMBL10725989 | 0.77 | ALDH1A1 (0.50) | ALDH1A1MAPTSMN1; SMN2CYP2D6KMT2A | |
| SCHEMBL11584636 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116568675-A | Cyclic isothiourea derivatives as CXCR4 modulators | 埃尔米乌治疗公司 | 2023-08-08 | — | — | CN | claimed |
| CN-116568675-A | Cyclic isothiourea derivatives as CXCR4 modulators | 埃尔米乌治疗公司 | 2023-08-08 | — | — | CN | disclosed |