Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.39 |
| ▸ | HTR3A | P46098 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL10661492 | 0.86 | NPC1 (0.55) | ALDH1A1RAB9AKDM4ENPC1MAPT | |
| SCHEMBL10735918 | 0.81 | LSS (0.38) | ESR1ESR2MAOB | |
| SCHEMBL10729308 | 0.80 | LSS (0.39) | RAB9ANPC1MAPTSMN1; SMN2ESR1 | |
| SCHEMBL10661121 | 0.79 | MAPT (0.42) | ALDH1A1RAB9AKDM4ENPC1MAPT | |
| SCHEMBL10736474 | 0.78 | AKR1C3 (0.47) | ALDH1A1KDM4EMAPTGAAMEN1 | |
| SCHEMBL13588380 | 0.78 | PIN1 (0.54) | ALDH1A1RAB9AKDM4ENPC1MAPT | |
| SCHEMBL10661061 | 0.78 | ESR1 (0.61) | ESR1ESR2 | |
| SCHEMBL5371130 | 0.75 | HPGD (0.48) | ALDH1A1RAB9AKDM4ENPC1MAPT | |
| SCHEMBL6374522 | 0.75 | ESR1 (0.59) | ALDH1A1RAB9AKDM4ENPC1MAPT | |
| SCHEMBL6310091 | 0.74 | ESR1 (0.60) | RAB9ANPC1CYP3A4ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4728662-A | DIURETICS, URICOSURICS, HYPOTENSIVES | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1988-03-01 | — | — | US | disclosed |
| US-4673746-A | DIURETICS, HYPOTENSIVES | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1987-06-16 | — | — | US | disclosed |