Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | PNMT | P11086 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PLAAT3 | P53816 | 1/20 | 0.36 |
| ▸ | PLAAT5 | Q96KN8 | 1/20 | 0.36 |
| ▸ | PLAAT2 | Q9NWW9 | 1/20 | 0.36 |
| ▸ | PLAAT4 | Q9UL19 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11567668 | 0.73 | IDO1 (0.42) | PNMTIDO1ALDH1A1LMNAPKM | |
| SCHEMBL8525795 | 0.71 | IDO1 (0.52) | PNMTIDO1LMNAPKMCYP2C9 | |
| Phosphine SCHEMBL11016680 | 0.70 | SLC6A2 (0.48) | SIGMAR1IDO1ALDH1A1LMNACYP2C9 | |
| Chlorobenzene SCHEMBL27309368 | 0.68 | TSHR (0.46) | SIGMAR1PNMTIDO1ALDH1A1PKM | |
| SCHEMBL14002893 | 0.68 | IDO1 (0.45) | PNMTIDO1LMNAPKMTAAR1 | |
| SCHEMBL10994301 | 0.67 | CYP2C19 (0.50) | IDO1LMNACYP2C9CYP2C19MEN1 | |
| SCHEMBL4423210 | 0.66 | SIGMAR1 (0.53) | SIGMAR1PNMTIDO1ALDH1A1LMNA | |
| SCHEMBL9278409 | 0.66 | IDO1 (0.46) | PNMTIDO1LMNAPKMCYP2C9 | |
| SCHEMBL96359 | 0.66 | — | — | |
| SCHEMBL6986193 | 0.65 | TAAR1 (0.48) | LMNACYP2C9CYP2C19CYP3A4CYP2D6 |
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-113135940-B | Benzothiazole pyrimidine ring compound and preparation method and application thereof | 成都大学 | 2022-05-03 | — | — | CN | disclosed |