Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.43 |
| ▸ | HTR3B | O95264 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.39 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | NPY1R | P25929 | 2/20 | 0.38 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7419960 | 0.75 | HPGD (0.41) | KMT2A | |
| SCHEMBL7169526 | 0.75 | NOTUM (0.56) | CHRNB2CHRNA4HTR3EHTR3BCHRNA7 | |
| SCHEMBL7415215 | 0.73 | BCHE (0.55) | CHRNB2CHRNA4HTR3EHTR3BCHRNA7 | |
| Hydrochloric Acid SCHEMBL7478009 | 0.73 | MEN1 (0.43) | HTR3ACYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7415222 | 0.73 | SLC6A3 (0.45) | CHRNB2CHRNA4HTR3EHTR3BCHRNA7 | |
| Hydrochloric Acid SCHEMBL7423348 | 0.71 | NPC1 (0.51) | CHRNB2CHRNA4KMT2ANOTUMTSHR | |
| SCHEMBL600415 | 0.70 | NOTUM (0.61) | CHRNB2CHRNA4HTR3EHTR3BCHRNA7 | |
| SCHEMBL30109103 | 0.70 | NOTUM (0.61) | CHRNB2CHRNA4HTR3EHTR3BCHRNA7 | |
| SCHEMBL5635573 | 0.70 | NOTUM (0.53) | CHRNB2CHRNA4HTR3EHTR3BCHRNA7 | |
| SCHEMBL7162470 | 0.70 | RAB9A (0.50) | CHRNB2CHRNA4HTR3EHTR3BCHRNA7 |
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-0629198-A1 | NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS | SMITHKLINE BEECHAM PLC (GB) | 1994-12-21 | — | — | EP | disclosed |
| WO-1993018027-A1 | NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICALS | SMITHKLINE BEECHAM PLC (GB) | 1993-09-16 | — | — | WO | disclosed |