Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | RET | P07949 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 4/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 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 | |
|---|---|---|---|---|
| SCHEMBL8378992 | 0.85 | ALDH1A1 (0.39) | MEN1KMT2AHPGDALDH1A1HTR1A | |
| Glycolic Acid SCHEMBL8382549 | 0.83 | HPGD (0.46) | HPGDNPC1RAB9AHSD17B10TP53 | |
| SCHEMBL8636168 | 0.78 | L3MBTL1 (0.47) | MEN1KMT2AALDH1A1HTR1AADRA1D | |
| SCHEMBL8378914 | 0.76 | HTR1A (0.39) | MEN1KMT2ANPC1RAB9AALDH1A1 | |
| SCHEMBL8380298 | 0.73 | HTR1A (0.34) | RETHPGDHSD17B10RECQLALDH1A1 | |
| SCHEMBL8377272 | 0.71 | HTR1A (0.34) | MEN1KMT2AHPGDHSD17B10AR | |
| SCHEMBL8382372 | 0.69 | F2 (0.37) | CYP2D6SLC6A2SLC6A4NOS2RET | |
| SCHEMBL7962974 | 0.69 | HPGD (0.36) | HPGDNPC1RAB9AHSD17B10TP53 | |
| SCHEMBL8378504 | 0.68 | ALDH1A1 (0.34) | MEN1KMT2AHPGDHSD17B10RECQL | |
| SCHEMBL7019908 | 0.68 | CRHBP (0.58) | CYP2D6KMT2AHPGDALDH1A1 |
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-5883248-A | QUATERNARY AMMONIUM INTERMEDIATES | ROUSSEL UCLAF (FR) | 1999-03-16 | — | — | US | disclosed |
| US-5763617-A | Cephalosporins | ROUSSEL UCLAF (FR) | 1998-06-09 | — | — | US | disclosed |
| US-5728828-A | A 3-(3-CHLORO- OR IODOPROP-1-EN-1-YL),7-(2-AMINOTHIAZOL-4-YL) ((CARBOXY)(PHENYL)METHOXYIMINO)ACETAMIDO-3-CEPHEM; GRAMNEGATIVE AND -POSITIVE BACTERIA, ESP. ANTIBIOTIC-RESISTANCE STAPHYLOCOCCUS | ROUSSEL UCLAF (FR) | 1998-03-17 | — | — | US | disclosed |
| US-5712266-A | Cephalosporins | ROUSSEL UCLAF (FR) | 1998-01-27 | — | — | US | disclosed |