Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.35 |
| ▸ | LTA4H | P09960 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5722244 | 0.80 | TSHR (0.47) | TACR1ALDH1A1TSHRCYP1A2USP2 | |
| SCHEMBL17100019 | 0.72 | TSHR (0.52) | TACR1TSHRLTA4H | |
| SCHEMBL6127863 | 0.69 | NPC1 (0.51) | CYP2D6CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL1981994 | 0.69 | TACR1 (0.56) | TACR1TSHR | |
| SCHEMBL31721404 | 0.69 | TACR1 (0.41) | TACR1TSHRCYP2C9CYP2C19GAA | |
| SCHEMBL19074506 | 0.68 | TSHR (0.47) | TACR1TSHRLTA4HSLC6A4 | |
| SCHEMBL3490325 | 0.68 | TSHR (0.47) | TACR1ALDH1A1TSHRGAANPC1 | |
| SCHEMBL6124701 | 0.68 | SMN1; SMN2 (0.47) | CYP2C19NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL15043681 | 0.67 | TACR1 (0.45) | TACR1TSHRLTA4HSLC6A4 | |
| SCHEMBL28654159 | 0.67 | TACR1 (0.45) | TACR1CYP2D6ALDH1A1TSHRLTA4H |
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-105646532-A | Synthesis method of 2-tertbutyloxycarbonyl-10-carbonyl-8-oxo-2,11-diazaspiro[5.6]dodecane | 上海药明康德新药开发有限公司 | 2016-06-08 | — | — | CN | claimed |
| CN-105646532-A | Synthesis method of 2-tertbutyloxycarbonyl-10-carbonyl-8-oxo-2,11-diazaspiro[5.6]dodecane | 上海药明康德新药开发有限公司 | 2016-06-08 | — | — | CN | disclosed |