Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 2/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 5/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.32 |
| ▸ | CDC25B | P30305 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SI | P14410 | 1/20 | 0.32 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11550798 | 1.00 | PTPN1 (0.37) | PTPN1BLMALOX15CYP3A4KMT2A | |
| SCHEMBL11549705 | 0.83 | MGAM (0.39) | ALOX15CYP3A4LMNAMGAMGAA | |
| SCHEMBL11557290 | 0.81 | ALOX15 (0.46) | ALOX15ALDH1A1TSHR | |
| SCHEMBL11549233 | 0.81 | ALOX15 (0.46) | ALOX15ALDH1A1TSHR | |
| SCHEMBL3012285 | 0.80 | BLM (0.46) | PTPN1BLMALOX15CYP3A4KMT2A | |
| SCHEMBL11551970 | 0.80 | BLM (0.46) | PTPN1BLMALOX15CYP3A4KMT2A | |
| SCHEMBL11548931 | 0.79 | BLM (0.38) | PTPN1BLMALOX15CYP3A4KMT2A | |
| SCHEMBL2354229 | 0.78 | BLM (0.48) | PTPN1BLMALOX15CYP3A4KMT2A | |
| SCHEMBL2347747 | 0.78 | BLM (0.48) | PTPN1BLMALOX15CYP3A4KMT2A | |
| SCHEMBL2352043 | 0.78 | BLM (0.48) | PTPN1BLMALOX15CYP3A4KMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4160865-A | Asymmetric synthesis | HOFFMANN-LA ROCHE INC. (US) | 1979-07-10 | — | — | US | disclosed |
| US-4151360-A | Optically active amine salts | HOFFMANN-LA ROCHE INC. (US) | 1979-04-24 | — | — | US | disclosed |
| US-4102909-A | Optically active esters and amides | HOFFMANN-LA ROCHE INC. (US) | 1978-07-25 | — | — | US | disclosed |
| US-4094892-A | CLAISEN REARRANGEMENT | HOFFMANN-LA ROCHE INC. (US) | 1978-06-13 | — | — | US | disclosed |
| US-4045475-A | Optically active alcohols and lower esters thereof | HOFFMANN-LA ROCHE INC. (US) | 1977-08-30 | — | — | US | disclosed |