Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 4/20 | 0.44 |
| ▸ | LPAR1 | Q92633 | 3/20 | 0.33 |
| ▸ | FNTA | P49354 | 1/20 | 0.33 |
| ▸ | FNTB | P49356 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 3/20 | 0.32 |
| ▸ | HTR2C | P28335 | 3/20 | 0.32 |
| ▸ | HTR2B | P41595 | 2/20 | 0.32 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.32 |
| ▸ | MC4R | P32245 | 1/20 | 0.32 |
| ▸ | MC5R | P33032 | 1/20 | 0.32 |
| ▸ | MC1R | Q01726 | 1/20 | 0.32 |
| ▸ | PDE4A | P27815 | 1/20 | 0.32 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.32 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
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 SCHEMBL8890811 | 0.99 | TACR1 (0.44) | TACR1LPAR1FNTAFNTBSIGMAR1 | |
| Bromide SCHEMBL8890169 | 0.91 | TACR1 (0.41) | TACR1LPAR1SIGMAR1HPGD | |
| SCHEMBL8891566 | 0.82 | TACR1 (0.41) | TACR1FNTAFNTBHTR2AHTR2C | |
| Bromide SCHEMBL8890843 | 0.81 | TACR1 (0.41) | TACR1FNTAFNTBHTR2AHTR2C | |
| SCHEMBL8890274 | 0.81 | TACR1 (0.42) | TACR1FNTAFNTB | |
| Bromide SCHEMBL8891352 | 0.79 | TACR1 (0.41) | TACR1FNTAFNTB | |
| SCHEMBL8891554 | 0.78 | TACR1 (0.39) | TACR1FNTAFNTBHTR2AHTR2C | |
| Bromide SCHEMBL8890819 | 0.77 | TACR1 (0.39) | TACR1FNTAFNTBHTR2AHTR2C | |
| Bromide SCHEMBL8890180 | 0.73 | TACR1 (0.38) | TACR1FNTAFNTBOPRD1OPRK1 | |
| SCHEMBL8548123 | 0.73 | TACR1 (0.73) | TACR1FNTAFNTBHPGDADRA1D |
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 |