Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPFFR2 | Q9Y5X5 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.41 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.41 |
| ▸ | GRN | P28799 | 1/20 | 0.40 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PYGL | P06737 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 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 | |
|---|---|---|---|---|
| SCHEMBL6995209 | 1.00 | NPFFR2 (0.45) | NPFFR2KMT2ANPSR1ALDH1A1NPC1 | |
| SCHEMBL6060225 | 0.83 | NOS2 (0.52) | NPFFR2KMT2ANPSR1ALDH1A1NOS3 | |
| SCHEMBL6059739 | 0.83 | NOS2 (0.52) | NPFFR2KMT2ANPSR1ALDH1A1NOS3 | |
| SCHEMBL6060227 | 0.83 | NOS2 (0.52) | NPFFR2KMT2ANPSR1ALDH1A1NOS3 | |
| SCHEMBL6059744 | 0.83 | NOS2 (0.52) | NPFFR2KMT2ANPSR1ALDH1A1NOS3 | |
| SCHEMBL8902340 | 0.81 | MAOB (0.42) | KMT2ANPSR1ALDH1A1NPC1RAB9A | |
| SCHEMBL27207986 | 0.81 | MAOB (0.42) | KMT2ANPSR1ALDH1A1NPC1RAB9A | |
| SCHEMBL8902338 | 0.81 | MAOB (0.42) | KMT2ANPSR1ALDH1A1NPC1RAB9A | |
| SCHEMBL20235895 | 0.81 | MAOB (0.42) | KMT2ANPSR1ALDH1A1NPC1RAB9A | |
| SCHEMBL4111352 | 0.76 | ALDH1A1 (0.53) | KMT2AALDH1A1THRBSMN1; SMN2GRIK1 |
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-1317421-A1 | 2-AMINO-2-ALKYL-5 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | Pharmacia Corporation (US) | 2003-06-11 | — | — | EP | disclosed |
| WO-2002022562-A1 | 2-AMINO-2-ALKYL-5 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | PHARMACIA CORPORATION (US) | 2002-03-21 | — | — | WO | disclosed |