Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 10/20 | 0.45 |
| ▸ | NPC1 | O15118 | 9/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | STAT3 | P40763 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11806940 | 0.83 | ALDH1A1 (0.46) | ALDH1A1RAB9ANPC1PTGS2SMN1; SMN2 | |
| SCHEMBL11810009 | 0.79 | PTGS2 (0.32) | ALDH1A1RAB9APTGS2SMN1; SMN2TDP1 | |
| SCHEMBL28320122 | 0.76 | RAB9A (0.52) | ALDH1A1RAB9ANPC1PTGS2SMN1; SMN2 | |
| SCHEMBL6888453 | 0.76 | RAB9A (0.52) | ALDH1A1RAB9ANPC1PTGS2SMN1; SMN2 | |
| SCHEMBL9607554 | 0.72 | RAB9A (0.55) | ALDH1A1RAB9ANPC1PTGS2SMN1; SMN2 | |
| SCHEMBL28320114 | 0.72 | RAB9A (0.55) | ALDH1A1RAB9ANPC1PTGS2SMN1; SMN2 | |
| SCHEMBL7220906 | 0.69 | RAB9A (0.61) | ALDH1A1RAB9ANPC1PTGS2SMN1; SMN2 | |
| SCHEMBL3771884 | 0.69 | ALDH1A1 (0.56) | ALDH1A1RAB9ANPC1PTGS2SMN1; SMN2 | |
| SCHEMBL28319053 | 0.67 | RAB9A (0.49) | ALDH1A1RAB9ANPC1PTGS2SMN1; SMN2 | |
| SCHEMBL28689579 | 0.67 | NPC1 (0.67) | ALDH1A1RAB9ANPC1PTGS2SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3935219-A | Antimicrobial dihalonitromethylisoxazoles | PURDUE RESEARCH LABORATORY (US) | 1976-01-27 | — | — | US | claimed |
| US-3935219-A | Antimicrobial dihalonitromethylisoxazoles | PURDUE RESEARCH LABORATORY (US) | 1976-01-27 | — | — | US | disclosed |