Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 1/20 | 0.47 |
| ▸ | GRN | P28799 | 7/20 | 0.44 |
| ▸ | SORT1 | Q99523 | 7/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14900010 | 1.00 | TPMT (0.47) | TPMTGRNSORT1CA12CA1 | |
| SCHEMBL697668 | 0.81 | ALDH1A1 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28036501 | 0.80 | TSHR (0.41) | TPMTGRNSORT1TSHRHTR2A | |
| SCHEMBL15253339 | 0.75 | TSHR (0.64) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15253524 | 0.75 | TSHR (0.64) | CA12CA1CA2CA7CA9 | |
| SCHEMBL582407 | 0.75 | TSHR (0.64) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16047118 | 0.74 | OGG1 (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9780822 | 0.73 | TDP1 (0.55) | TPMTTSHRHTR2AHTR2CHTR2B | |
| SCHEMBL11275122 | 0.73 | CA1 (0.50) | TPMTCA12CA1CA2CA7 | |
| SCHEMBL28525420 | 0.73 | TSHR (0.62) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2423211-B1 | PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF | KANEKA CORP (JP) | 2014-04-16 | — | — | EP | disclosed |
| EP-2423211-A1 | PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF | Kaneka Corporation (JP) | 2012-02-29 | — | — | EP | disclosed |