Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 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 | |
|---|---|---|---|---|
| SCHEMBL7450992 | 0.87 | CYP1A2 (0.57) | CYP1A2ALDH1A1KDM4ETDP1USP2 | |
| Hydrochloric Acid SCHEMBL7450987 | 0.85 | CYP1A2 (0.55) | CYP1A2ALDH1A1KDM4ETDP1USP2 | |
| SCHEMBL23960622 | 0.84 | CYP1A2 (0.36) | CYP1A2ALDH1A1KDM4ETDP1USP2 | |
| SCHEMBL23007584 | 0.81 | ALDH1A1 (0.48) | CYP1A2ALDH1A1KDM4EUSP2LMNA | |
| SCHEMBL27726 | 0.80 | CYP1A2 (0.81) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL3866042 | 0.80 | CYP1A2 (0.81) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL2338208 | 0.80 | CYP1A2 (0.81) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL6377387 | 0.80 | CYP1A2 (0.81) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL7416439 | 0.80 | CYP1A2 (0.81) | CYP1A2ALDH1A1USP2LMNATSHR | |
| SCHEMBL466295 | 0.80 | ALDH1A1 (0.56) | CYP1A2ALDH1A1KDM4EUSP2LMNA |
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-2021216753-A1 | FLUORINATED DERIVATIVES OF GABAPENTIN AND METHODS OF USE THEREOF | THE GENERAL HOSPITAL CORPORATION (US) | 2021-10-28 | — | — | WO | disclosed |