Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.70 |
| ▸ | USP2 | O75604 | 1/20 | 0.70 |
| ▸ | LMNA | P02545 | 1/20 | 0.70 |
| ▸ | TSHR | P16473 | 1/20 | 0.70 |
| ▸ | BLM | P54132 | 1/20 | 0.70 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CPB2 | Q96IY4 | 4/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL466183 | 0.83 | CYP1A2 (1.00) | ALDH1A1CYP1A2USP2LMNATSHR | |
| Gabapentin SCHEMBL179836 | 0.83 | CYP1A2 (1.00) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL6544499 | 0.83 | CYP1A2 (1.00) | ALDH1A1CYP1A2USP2LMNATSHR | |
| Gabapentin SCHEMBL8343 | 0.83 | CYP1A2 (1.00) | ALDH1A1CYP1A2USP2LMNATSHR | |
| Gabapentin SCHEMBL4030100 | 0.83 | CYP1A2 (1.00) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL98282 | 0.82 | ALDH1A1 (0.74) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL2871721 | 0.82 | ALDH1A1 (0.74) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL3421776 | 0.82 | ALDH1A1 (0.74) | ALDH1A1CYP1A2USP2LMNATSHR | |
| SCHEMBL10602483 | 0.82 | ALDH1A1 (0.74) | ALDH1A1CYP1A2USP2LMNATSHR | |
| Gabapentin SCHEMBL26730 | 0.81 | CYP1A2 (0.96) | ALDH1A1CYP1A2USP2LMNATSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6765114-B1 | CATALYTIC HYDROGENATION OF NITRO DERIVATIVE; ECONOMICAL; SIMPLE | RICHTER GEDEON VEGYESZETI GYAR RT. (HU) | 2004-07-20 | — | — | US | claimed |
| US-20070212428-A1 | METHODS AND COMPOSITIONS FOR TREATING MOOD DISORDER | MOOD MANAGEMENT SCIENCES, INC. (US) | 2007-09-13 | — | — | US | disclosed |