Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 13/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TACR3 | P29371 | 1/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7460426 | 1.00 | TACR1 (0.49) | TACR1TSHRTACR3SIGMAR1LTA4H | |
| SCHEMBL7614502 | 1.00 | TACR1 (0.49) | TACR1TSHRTACR3SIGMAR1LTA4H | |
| SCHEMBL7614505 | 1.00 | TACR1 (0.49) | TACR1TSHRTACR3SIGMAR1LTA4H | |
| SCHEMBL8500474 | 1.00 | TACR1 (0.49) | TACR1TSHRTACR3SIGMAR1LTA4H | |
| SCHEMBL7618215 | 1.00 | TACR1 (0.49) | TACR1TSHRTACR3SIGMAR1LTA4H | |
| SCHEMBL8481125 | 0.81 | TACR1 (0.50) | TACR1TACR3 | |
| SCHEMBL8481128 | 0.81 | TACR1 (0.50) | TACR1TACR3 | |
| SCHEMBL7618232 | 0.81 | TACR1 (0.54) | TACR1TACR3SIGMAR1 | |
| SCHEMBL7618223 | 0.81 | TACR1 (0.54) | TACR1TACR3SIGMAR1 | |
| Acetic Acid SCHEMBL8525365 | 0.77 | TACR1 (0.54) | TACR1TACR3SIGMAR1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0771813-B1 | Alkylxanthine phosphonates and alkylxanthine phosphine oxydes and their use as medicines | HOECHST AG (DE) | 2002-01-16 | — | — | EP | disclosed |
| US-5965562-A | TREATING DISORDERS INDUCED BY SUBSTANCE P AND MIGRAINE HEADACHE | NOVARTIS CORPORATION (US) | 1999-10-12 | — | — | US | disclosed |
| EP-0783490-A1 | 1-ACYL-4-ALIPHATYLAMINOPIPERIDINE COMPOUNDS | Novartis AG (CH) | 1997-07-16 | — | — | EP | disclosed |
| EP-0771813-A1 | Alkylxanthine phosphonates and alkylxanthine phosphine oxydes and their use as medicines | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-05-07 | — | — | EP | disclosed |
| US-5604247-A | NEUROKININE ANTAGONIST | CIBA-GEIGY CORPORATION (US) | 1997-02-18 | — | — | US | disclosed |
| EP-0707006-A1 | Aroyl-piperidine derivatives | CIBA-GEIGY AG (CH) | 1996-04-17 | — | — | EP | disclosed |
| WO-1996010562-A1 | 1-ACYL-4-ALIPHATYLAMINOPIPERIDINE COMPOUNDS | NOVARTIS AG (CH) | 1996-04-11 | — | — | WO | disclosed |