Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.63 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.63 |
| ▸ | CRHBP | P24387 | 2/20 | 0.58 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 3/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 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 | |
|---|---|---|---|---|
| SCHEMBL30261883 | 0.84 | LMNA (0.53) | GAACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL29001970 | 0.84 | LMNA (0.53) | GAACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL17381397 | 0.80 | IDO1 (0.60) | GAACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27312416 | 0.80 | GAA (0.54) | GAACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11506070 | 0.79 | GAA (0.65) | GAACYP1A2CYP2D6CYP2C9CYP2C19 | |
| Bromide SCHEMBL4934326 | 0.77 | IDO1 (0.46) | GAACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11506072 | 0.70 | IDO1 (0.55) | GAACYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL12835097 | 0.70 | TDP1 (0.53) | GAACYP2C19ALDH1A1IDO1NOS3 | |
| SCHEMBL16299578 | 0.68 | IDO1 (0.48) | GAAALDH1A1IDO1NOS3NOS1 | |
| SCHEMBL11064825 | 0.68 | TAAR1 (0.66) | GAACYP1A2CYP2D6CYP2C19ALDH1A1 |
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-115960048-B | Cimetidine Process for the preparation of guanidine | 常州安迪沃克医药科技有限公司 | 2025-01-24 | — | — | CN | disclosed |
| CN-115960048-A | Preparation method of cimetidine | 常州安迪沃克医药科技有限公司 | 2023-04-14 | — | — | CN | disclosed |