Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.31 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Toluene SCHEMBL11194057 | 0.79 | LMNA (0.48) | ALDH1A1CYP2A6TSHRGLANPSR1 | |
| Aniline SCHEMBL10692374 | 0.78 | TSHR (0.46) | ALDH1A1CYP2A6TSHRGLANPSR1 | |
| SCHEMBL3725404 | 0.76 | ALDH1A1 (0.42) | ALDH1A1CYP2A6TSHRGLANPSR1 | |
| SCHEMBL968495 | 0.73 | LMNA (0.48) | ALDH1A1TSHRNPC1LMNATP53 | |
| SCHEMBL11676648 | 0.73 | LMNA (0.49) | ALDH1A1NPSR1MEN1KMT2AL3MBTL1 | |
| Diphenylmethanol SCHEMBL8527825 | 0.73 | LMNA (0.44) | ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1 | |
| SCHEMBL27084 | 0.72 | — | — | |
| SCHEMBL5518857 | 0.72 | — | — | |
| SCHEMBL27668697 | 0.72 | ALDH1A1 (0.38) | ALDH1A1TSHRALDH3A1ALDH1A3 | |
| SCHEMBL7397101 | 0.71 | AOC3 (0.53) | MEN1KMT2ANPC1ADRA2AKCNH2 |
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-5730953-A | RADIOGRAPHIC CONTRAST MEDIUM | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1998-03-24 | — | — | US | claimed |
| EP-0716091-B1 | TRIS(SUBSTITUTED PHENYL)BISMUTH DERIVATIVE | NISSAN CHEMICAL IND LTD (JP) | 2001-03-21 | — | — | EP | disclosed |
| US-5730953-A | RADIOGRAPHIC CONTRAST MEDIUM | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 1998-03-24 | — | — | US | disclosed |
| EP-0716091-A1 | TRIS(SUBSTITUTED PHENYL)BISMUTH DERIVATIVE | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 1996-06-12 | — | — | EP | disclosed |