Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 2/20 | 0.39 |
| ▸ | FNTA | P49354 | 2/20 | 0.37 |
| ▸ | FNTB | P49356 | 2/20 | 0.37 |
| ▸ | BCHE | P06276 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | MC4R | P32245 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | MC5R | P33032 | 1/20 | 0.33 |
| ▸ | MC1R | Q01726 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD5 | P21918 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL8890819 | 0.99 | TACR1 (0.39) | TACR1FNTAFNTBBCHEACHE | |
| Bromide SCHEMBL8890170 | 0.91 | ALDH1A1 (0.37) | TACR1FNTAFNTBBCHEACHE | |
| SCHEMBL8890828 | 0.87 | TACR1 (0.33) | TACR1FNTAFNTBBCHEACHE | |
| SCHEMBL8890274 | 0.85 | TACR1 (0.42) | TACR1FNTAFNTBBCHEACHE | |
| SCHEMBL8891566 | 0.82 | TACR1 (0.41) | TACR1FNTAFNTBMC4RHTR2A | |
| Bromide SCHEMBL8890843 | 0.81 | TACR1 (0.41) | TACR1FNTAFNTBMC4RHTR2A | |
| Bromide SCHEMBL8891355 | 0.80 | ALDH1A1 (0.38) | TACR1FNTAFNTBBCHEACHE | |
| SCHEMBL8890176 | 0.79 | KDM4E (0.34) | TACR1FNTAFNTBACHE | |
| SCHEMBL8891545 | 0.78 | TACR1 (0.44) | TACR1FNTAFNTBMC4RHTR2A | |
| Bromide SCHEMBL8890811 | 0.77 | TACR1 (0.44) | TACR1FNTAFNTBMC4RHTR2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997005110-A1 | PERHYDROISOINDOLE DERIVATIVES AS SUBSTANCE P AND NEUROKININE A ANTAGONISTS | RHONE-POULENC RORER S.A. (FR) | 1997-02-13 | — | — | WO | claimed |
| WO-1997005110-A1 | PERHYDROISOINDOLE DERIVATIVES AS SUBSTANCE P AND NEUROKININE A ANTAGONISTS | RHONE-POULENC RORER S.A. (FR) | 1997-02-13 | — | — | WO | disclosed |