Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | CRHBP | P24387 | 1/20 | 0.39 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL30409337 | 0.81 | NPSR1 (0.59) | NPSR1ALDH1A1CRHBPCRHR2RAB9A | |
| SCHEMBL2956140 | 0.70 | NPSR1 (0.60) | NPSR1ALDH1A1SMN1; SMN2HTTTDP1 | |
| SCHEMBL8331183 | 0.70 | NPSR1 (0.60) | NPSR1ALDH1A1SMN1; SMN2HTTTDP1 | |
| SCHEMBL11427505 | 0.70 | NPSR1 (0.51) | NPSR1ALDH1A1RAB9ANPC1GAA | |
| SCHEMBL25590217 | 0.70 | GAA (0.64) | NPSR1ALDH1A1CRHBPCRHR2RAB9A | |
| SCHEMBL4408532 | 0.70 | NPSR1 (0.74) | NPSR1ALDH1A1RAB9ASMN1; SMN2GAA | |
| SCHEMBL15284094 | 0.69 | NPSR1 (0.59) | NPSR1ALDH1A1RAB9ANPC1HTT | |
| SCHEMBL4009144 | 0.69 | NPSR1 (0.77) | NPSR1ALDH1A1RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL10577168 | 0.69 | NPSR1 (0.59) | NPSR1ALDH1A1HTTTDP1MAPT | |
| SCHEMBL9283221 | 0.69 | NPSR1 (0.72) | NPSR1ALDH1A1RAB9ASMN1; SMN2NFKB1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5489714-A | Method of synthesizing 2,6-dinitro benzyl compounds | PPG INDUSTRIES, INC. (US) | 1996-02-06 | — | — | US | claimed |
| US-5489714-A | Method of synthesizing 2,6-dinitro benzyl compounds | PPG INDUSTRIES, INC. (US) | 1996-02-06 | — | — | US | disclosed |
| US-5449834-A | Method of synthesizing 2,6-dinitro benzyl compounds | PPG INDUSTRIES, INC. (US) | 1995-09-12 | — | — | US | disclosed |