Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7422494 | 0.87 | NPC1 (0.52) | TSHRNPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL7889273 | 0.87 | FAAH (0.48) | TSHRCHRM4FAAHALDH1A1HPGD | |
| SCHEMBL7886963 | 0.85 | NPC1 (0.47) | NCEH1NPC1RAB9ASMN1; SMN2FAAH | |
| SCHEMBL7425279 | 0.85 | NCEH1 (0.46) | NCEH1CYP1A2CYP2D6CYP2C19NPC1 | |
| SCHEMBL7426583 | 0.84 | NCEH1 (0.48) | NCEH1NPC1RAB9AMGLLTP53 | |
| SCHEMBL7888367 | 0.83 | ACKR3 (0.47) | CYP1A2CYP2D6CYP2C19CYP2C9ALDH1A1 | |
| SCHEMBL7893101 | 0.83 | ALDH1A1 (0.56) | CYP1A2CYP2C19CYP2C9TSHRSMN1; SMN2 | |
| SCHEMBL7426581 | 0.80 | TSHR (0.49) | TSHRSMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL7423152 | 0.79 | SMN1; SMN2 (0.61) | NPC1SMN1; SMN2CHRM4ALDH1A1HPGD | |
| SCHEMBL8210407 | 0.77 | KMT2A (0.53) | CYP2C19CYP2C9SMN1; SMN2CHRM4ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0934301-B1 | AMINOTHIOPHENE CARBOXYLIC ACID AMIDES AND THE USE THEREOF AS PHOSPHODIESTERASE INHIBITORS | MERCK PATENT GMBH (DE) | 2001-06-20 | — | — | EP | disclosed |