Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | AKT1 | P31749 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | TGM2 | P21980 | 1/20 | 0.42 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Aniline SCHEMBL16859322 | 0.86 | TSHR (0.55) | ALDH1A1TSHRAKT1TDP1TGM2 | |
| Aniline SCHEMBL27409704 | 0.84 | TSHR (0.52) | ALDH1A1TSHRAKT1TDP1TGM2 | |
| Aniline SCHEMBL28168391 | 0.84 | TSHR (0.52) | ALDH1A1TSHRAKT1TDP1TGM2 | |
| Aniline SCHEMBL27700711 | 0.83 | TSHR (0.58) | ALDH1A1TSHRTDP1GLAPBRM1 | |
| Aniline SCHEMBL25370313 | 0.83 | TSHR (0.65) | ALDH1A1TSHRTDP1GLAPBRM1 | |
| Aniline SCHEMBL30678504 | 0.83 | TSHR (0.65) | ALDH1A1TSHRTDP1GLAPBRM1 | |
| Aniline SCHEMBL7175507 | 0.83 | TSHR (0.65) | ALDH1A1TSHRTDP1GLAPBRM1 | |
| Aniline SCHEMBL1956601 | 0.83 | TSHR (0.65) | ALDH1A1TSHRTDP1GLAPBRM1 | |
| Biphenyl SCHEMBL27428185 | 0.81 | ALDH1A1 (0.55) | ALDH1A1TSHRAKT1TDP1GLA | |
| Aniline SCHEMBL28431695 | 0.80 | TSHR (0.61) | ALDH1A1TSHRTDP1GLAPBRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006090256-A1 | PROCESS FOR THE PREPARATION OF N-METHYL ANILINO ACROLEIN | RANBAXY LABORATORIES LIMITED (IN) | 2006-08-31 | — | — | WO | claimed |
| WO-2006090256-A1 | PROCESS FOR THE PREPARATION OF N-METHYL ANILINO ACROLEIN | RANBAXY LABORATORIES LIMITED (IN) | 2006-08-31 | — | — | WO | disclosed |