Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM1A | O60341 | 1/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8176702 | 0.91 | MTNR1A (0.53) | KDM1APTPN1RAB9ANPC1NPSR1 | |
| SCHEMBL9776851 | 0.80 | GRIN2B (0.60) | KDM1APTPN1RAB9ANPC1MTNR1A | |
| SCHEMBL8177517 | 0.78 | ACKR3 (0.40) | RAB9ANPC1KDM4EMAOAALDH1A1 | |
| SCHEMBL8306747 | 0.77 | KDM4E (0.36) | KDM4EALDH1A1MAOBGRIN2B | |
| SCHEMBL31056014 | 0.77 | MGLL (0.51) | KDM1ARAB9ANPC1MAOAALDH1A1 | |
| SCHEMBL28997079 | 0.76 | TGM2 (0.43) | RAB9ANPC1KDM4EALDH1A1GRIN2B | |
| SCHEMBL8309955 | 0.76 | GRIN2B (0.64) | KDM4EMAOAALDH1A1MAOBGRIN2B | |
| SCHEMBL11888082 | 0.75 | GRIN2B (0.46) | KDM1AKDM4EMAOAMAOBGRIN2B | |
| Hydrochloric Acid SCHEMBL8310357 | 0.75 | GRIN2B (0.63) | KDM4EMAOAALDH1A1MAOBGRIN2B | |
| SCHEMBL31752513 | 0.75 | CA12 (0.59) | RAB9ANPSR1MTNR1ACYP1A2HTR2B |
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-0759027-B1 | BICYCLIC AMIDINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHETASE | ASTRA AB (SE) | 1999-08-04 | — | — | EP | disclosed |
| US-5807886-A | Bicyclic amidine dervatives as inhibitors of nitric oxide synthetase | ASTRA AKTIEBOLAG (SE) | 1998-09-15 | — | — | US | disclosed |