Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9209882 | 1.00 | NPC1 (0.48) | NPC1ALDH1A1TSHRKDM4EUSP2 | |
| SCHEMBL8914039 | 0.98 | NPC1 (0.49) | NPC1ALDH1A1TSHRKDM4EUSP2 | |
| SCHEMBL1161703 | 0.87 | TAAR1 (0.46) | NPC1ALDH1A1TSHRKDM4EUSP2 | |
| SCHEMBL21413115 | 0.78 | TAAR1 (0.52) | NPC1ALDH1A1TSHRLMNATAAR1 | |
| SCHEMBL628048 | 0.78 | SMN1; SMN2 (0.51) | NPC1ALDH1A1TSHRUSP2TAAR1 | |
| SCHEMBL6734915 | 0.77 | TAAR1 (0.70) | NPC1ALDH1A1TSHRUSP2TAAR1 | |
| SCHEMBL8571535 | 0.77 | TAAR1 (0.70) | NPC1ALDH1A1TSHRUSP2TAAR1 | |
| SCHEMBL7116263 | 0.77 | TAAR1 (0.70) | NPC1ALDH1A1TSHRUSP2TAAR1 | |
| SCHEMBL4490512 | 0.76 | TAAR1 (0.53) | NPC1ALDH1A1TSHRLMNATAAR1 | |
| SCHEMBL1367928 | 0.76 | ALDH1A1 (0.44) | NPC1ALDH1A1LMNATAAR1SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0292840-B1 | Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation | THOMAE GMBH DR K (DE) | 1995-08-09 | — | — | EP | disclosed |
| US-5175157-A | Cardiovascular disorders | BOEHRINGER INGELHEIM GMBH (DE) | 1992-12-29 | — | — | US | disclosed |
| EP-0292840-A2 | Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation | Dr. Karl Thomae GmbH (DE) | 1988-11-30 | — | — | EP | disclosed |