Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 2/20 | 0.54 |
| ▸ | F12 | P00748 | 1/20 | 0.54 |
| ▸ | PLAU | P00749 | 1/20 | 0.54 |
| ▸ | NCF1 | P14598 | 1/20 | 0.54 |
| ▸ | NOS3 | P29474 | 1/20 | 0.54 |
| ▸ | NOS2 | P35228 | 1/20 | 0.54 |
| ▸ | BACE1 | P56817 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11376917 | 0.83 | HSP90AA1 (0.44) | NOS1F12PLAUNCF1NOS3 | |
| SCHEMBL30414026 | 0.82 | ALDH1A1 (0.50) | NOS1ALDH1A1NPC1MAPTSMN1; SMN2 | |
| SCHEMBL14900756 | 0.82 | ALDH1A1 (0.50) | NOS1ALDH1A1NPC1MAPTSMN1; SMN2 | |
| SCHEMBL10032267 | 0.82 | ALDH1A1 (0.50) | NOS1ALDH1A1NPC1MAPTSMN1; SMN2 | |
| SCHEMBL1645280 | 0.81 | ALDH1A1 (0.48) | NOS1PLAUALDH1A1TGFBR1KDM4E | |
| SCHEMBL30514702 | 0.81 | KDM4E (0.55) | NOS1ALDH1A1NPC1MAPTSMN1; SMN2 | |
| SCHEMBL17521999 | 0.81 | KDM4E (0.55) | NOS1ALDH1A1NPC1MAPTSMN1; SMN2 | |
| SCHEMBL10032295 | 0.80 | ALDH1A1 (0.49) | NOS1ALDH1A1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL14884094 | 0.79 | ALDH1A1 (0.47) | NOS1ALDH1A1NPC1MAPTSMN1; SMN2 | |
| SCHEMBL19767983 | 0.78 | KDM4E (0.52) | NOS1ALDH1A1NPC1MAPTSMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4260759-A | CONDENSATION OF NITRILES | SCHERING-CORPORATION (US) | 1981-04-07 | — | — | US | disclosed |
| US-4115395-A | FUNGICIDES, BACTERICIDES | SCHERING CORPORATION (US) | 1978-09-19 | — | — | US | disclosed |
| US-4107166-A | ANTIFUNGAL, ANTIBACTERIAL | SCHERING CORPORATION (US) | 1978-08-15 | — | — | US | disclosed |
| US-4017500-A | FUNGICIDES, BACTERICIDES | SCHERING CORPORATION (US) | 1977-04-12 | — | — | US | disclosed |