Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | MMP12 | P39900 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | DPP4 | P27487 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | PPARD | Q03181 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL9665304 | 0.91 | RAB9A (0.56) | MMP2MMP9MMP12RAB9AMDM2 | |
| SCHEMBL31561615 | 0.91 | MDM2 (0.51) | TRPA1MMP2MMP9MMP12RAB9A | |
| SCHEMBL11812546 | 0.81 | CES2 (0.46) | TRPA1RAB9ALMNAALDH1A1PTPN1 | |
| SCHEMBL13262327 | 0.81 | ALDH1A1 (0.49) | RAB9ALMNAALDH1A1PTPN1HPGD | |
| SCHEMBL6005381 | 0.81 | PPARA (0.53) | TRPA1LMNAHPGDKMT2APPARD | |
| SCHEMBL1515224 | 0.81 | PPARA (0.53) | TRPA1LMNAHPGDKMT2APPARD | |
| SCHEMBL15012163 | 0.81 | TRPA1 (0.53) | TRPA1HPGDKMT2AHTTMAOB | |
| SCHEMBL31384105 | 0.80 | ADRB2 (0.44) | RAB9ALMNAALDH1A1PTPN1HPGD | |
| SCHEMBL21400125 | 0.79 | TRPA1 (0.52) | TRPA1HPGDKMT2AHTTMAOB | |
| SCHEMBL15881064 | 0.79 | TRPA1 (0.52) | TRPA1HPGDDPP4KMT2AHTT |
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-1397358-A1 | TROPANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 2004-03-17 | — | — | EP | disclosed |
| WO-2002102801-A1 | TROPANE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS | NEUROSEARCH A/S (DK) | 2002-12-27 | — | — | WO | disclosed |