Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | TACR1 | P25103 | 3/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 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 | |
|---|---|---|---|---|
| SCHEMBL8438009 | 0.77 | NPC1 (0.45) | NPC1JAK2RAB9APAX8TACR1 | |
| SCHEMBL11317463 | 0.76 | ALDH1A1 (0.38) | NPC1JAK2RAB9APAX8TACR1 | |
| SCHEMBL13503172 | 0.75 | TAAR1 (0.46) | NPC1JAK2RAB9APAX8TACR1 | |
| SCHEMBL8436030 | 0.75 | NPC1 (0.44) | NPC1JAK2RAB9APAX8TACR1 | |
| SCHEMBL5323275 | 0.74 | NPC1 (0.43) | NPC1JAK2RAB9APAX8TACR1 | |
| SCHEMBL11031009 | 0.74 | NPC1 (0.50) | NPC1JAK2RAB9APAX8TACR1 | |
| SCHEMBL10782208 | 0.74 | NPC1 (0.50) | NPC1JAK2RAB9APAX8TACR1 | |
| SCHEMBL7774483 | 0.74 | NPC1 (0.43) | NPC1JAK2RAB9APAX8TACR1 | |
| SCHEMBL303580 | 0.74 | MEN1 (0.33) | NPC1JAK2RAB9APAX8KCNH2 | |
| SCHEMBL7163078 | 0.73 | NPC1 (0.39) | NPC1JAK2RAB9APAX8TACR1 |
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-0812363-A1 | PROCESS FOR PREPARING OPTICALLY ACTIVE AMINES | BAYER AG (DE) | 1997-12-17 | — | — | EP | disclosed |
| WO-1996027022-A1 | PROCESS FOR PREPARING OPTICALLY ACTIVE AMINES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-09-06 | — | — | WO | disclosed |