Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 3/20 | 0.36 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.34 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24616417 | 0.84 | TACR1 (0.43) | TACR1CTSLCTSBCTSKLMNA | |
| SCHEMBL100994 | 0.81 | TACR1 (0.45) | TACR1CTSLCTSBCTSKLMNA | |
| SCHEMBL24616444 | 0.78 | TACR1 (0.46) | TACR1LMNA | |
| SCHEMBL28079746 | 0.76 | TACR1 (0.37) | TACR1CXCR3TSHRLTA4HSLC6A4 | |
| SCHEMBL28831286 | 0.75 | GRM5 (0.42) | TACR1CTSLCTSBCTSKTSHR | |
| SCHEMBL24616460 | 0.73 | TACR1 (0.48) | TACR1TSHRKDM1ASLC6A4 | |
| SCHEMBL23070876 | 0.72 | TACR1 (0.60) | TACR1TSHRSLC6A4 | |
| SCHEMBL1978811 | 0.70 | TACR1 (0.55) | TACR1TSHR | |
| SCHEMBL30788912 | 0.70 | KDM1A (0.43) | TACR1CTSLCTSBCTSKTSHR | |
| SCHEMBL28654677 | 0.69 | TACR1 (0.45) | TACR1LMNATSHRLTA4HSLC6A4 |
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 |