Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 6/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.40 |
| ▸ | TUBB | P07437 | 1/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6043918 | 0.81 | MAPT (0.51) | TSHRKMT2ATDP1MAPTHTT | |
| SCHEMBL6043225 | 0.81 | HTT (0.61) | TSHRCYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL6042928 | 0.81 | CA12 (0.54) | CYP1A2CYP2C19MEN1KMT2ATDP1 | |
| SCHEMBL6043915 | 0.80 | THRA (0.53) | KMT2ALMNAMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL6043995 | 0.80 | TSHR (0.47) | TSHRMAPT | |
| SCHEMBL3078708 | 0.78 | MAPT (0.65) | TSHRCYP1A2CYP2C19MEN1KMT2A | |
| SCHEMBL22160224 | 0.78 | ALDH1A1 (0.51) | TSHRCYP1A2CYP2C19KMT2ATDP1 | |
| SCHEMBL6042780 | 0.78 | SMPD1 (0.46) | TSHRKMT2ATDP1MAPTHTT | |
| SCHEMBL6043552 | 0.78 | MAPK1 (0.47) | KMT2ATDP1MAPTHTTHSP90AA1 | |
| SCHEMBL1830431 | 0.78 | RAB9A (0.47) | TSHRCYP1A2MEN1KMT2ATDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1136556-A | Aromatic group substituted W-amino alkyl amide and alkyl amide | CIBA GEIGY CO LTD (CH) | 1996-11-27 | — | — | CN | disclosed |