Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.69 |
| ▸ | F3 | P13726 | 2/20 | 0.69 |
| ▸ | CXCL12 | P48061 | 3/20 | 0.69 |
| ▸ | MAOB | P27338 | 3/20 | 0.69 |
| ▸ | MAPT | P10636 | 4/20 | 0.68 |
| ▸ | RAB9A | P51151 | 4/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.68 |
| ▸ | MITF | O75030 | 1/20 | 0.68 |
| ▸ | RECQL | P46063 | 1/20 | 0.68 |
| ▸ | GUSB | P08236 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.59 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.59 |
| ▸ | MAOA | P21397 | 2/20 | 0.59 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | ESR1 | P03372 | 1/20 | 0.59 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.59 |
| ▸ | POLB | P06746 | 1/20 | 0.59 |
| ▸ | HSPD1 | P10809 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL7308126 | 1.00 | PTGS2 (0.69) | PTGS2F3CXCL12MAOBMAPT | |
| SCHEMBL25199743 | 1.00 | PTGS2 (0.69) | PTGS2F3CXCL12MAOBMAPT | |
| SCHEMBL31233368 | 1.00 | PTGS2 (0.69) | PTGS2F3CXCL12MAOBMAPT | |
| SCHEMBL30383198 | 1.00 | PTGS2 (0.69) | PTGS2F3CXCL12MAOBMAPT | |
| SCHEMBL7306057 | 0.90 | F3 (0.69) | PTGS2F3CXCL12MAOBMAPT | |
| SCHEMBL7312933 | 0.90 | F3 (0.69) | PTGS2F3CXCL12MAOBMAPT | |
| SCHEMBL25200404 | 0.89 | BACE1 (0.68) | F3CXCL12MAOBMAPTRAB9A | |
| SCHEMBL30383358 | 0.89 | BACE1 (0.68) | F3CXCL12MAOBMAPTRAB9A | |
| SCHEMBL25198501 | 0.89 | BACE1 (0.68) | F3CXCL12MAOBMAPTRAB9A | |
| SCHEMBL1225523 | 0.89 | PTGS2 (0.71) | PTGS2CXCL12MAOBCYP3A4CYP1B1 |
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-0947494-A1 | Derivatives of phenoxy acetic acid and phenoxymethyltetrazole having antitumor activity | F. HOFFMANN-LA ROCHE AG (CH) | 1999-10-06 | — | — | EP | disclosed |
| EP-0947511-A1 | Derivatives of phenoxy acetic acid and of phenoxymethyl tetrazole having antitumor activity | F. HOFFMANN-LA ROCHE AG (CH) | 1999-10-06 | — | — | EP | disclosed |