Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 5/20 | 0.47 |
| ▸ | NOS3 | P29474 | 4/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.39 |
| ▸ | HTR3B | O95264 | 2/20 | 0.39 |
| ▸ | HTR3A | P46098 | 2/20 | 0.39 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.39 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.39 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.39 |
| ▸ | PLAU | P00749 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29049854 | 0.80 | NOS1 (0.50) | NOS1NOS3HTR3EHTR3BHTR3A | |
| SCHEMBL9112452 | 0.76 | NOS3 (0.36) | NOS1NOS3MAPTKMT2AMEN1 | |
| SCHEMBL8607892 | 0.76 | NOS3 (0.36) | NOS1NOS3MAPTKMT2AMEN1 | |
| SCHEMBL18544063 | 0.74 | NOS1 (0.58) | NOS1NOS3HTR3EHTR3BHTR3A | |
| SCHEMBL16627963 | 0.74 | NOS1 (0.58) | NOS1NOS3HTR3EHTR3BHTR3A | |
| SCHEMBL18543896 | 0.74 | NOS1 (0.58) | NOS1NOS3HTR3EHTR3BHTR3A | |
| SCHEMBL9869506 | 0.74 | ALDH1A1 (0.36) | NOS1NOS3NOS2MAPTKMT2A | |
| Hydrochloric Acid SCHEMBL7624072 | 0.74 | KMT2A (0.35) | NOS1NOS3MAPTKMT2AMEN1 | |
| Bromide SCHEMBL7703398 | 0.74 | NOS3 (0.38) | NOS1NOS3MAPTKMT2AMEN1 | |
| SCHEMBL28570512 | 0.73 | NOS1 (0.56) | NOS1NOS3HTR3EHTR3BHTR3A |
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-0425932-B1 | Quinoxaline-pentamethine dyestuffs and optical recording medium containing said new dyestuffs | BASF AG (DE) | 1994-01-05 | — | — | EP | disclosed |
| US-5064702-A | Strongly absorbing in near infrared wavelength of semiconductor lasers, stability | BASF AKTIENGESELLSCHAFT (DE) | 1991-11-12 | — | — | US | disclosed |
| EP-0425932-A1 | Quinoxaline-pentamethine dyestuffs and optical recording medium containing said new dyestuffs | BASF Aktiengesellschaft (DE) | 1991-05-08 | — | — | EP | disclosed |