Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.42 |
| ▸ | TUBB | P07437 | 1/20 | 0.42 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.42 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.42 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.42 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.42 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.42 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.42 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.42 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.42 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8958699 | 1.00 | MEN1 (0.48) | MEN1ALDH1A1KMT2ACHRM5CYP19A1 | |
| SCHEMBL1364082 | 0.80 | ALDH1A1 (0.38) | MEN1ALDH1A1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL1364080 | 0.80 | ALDH1A1 (0.38) | MEN1ALDH1A1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL9913424 | 0.80 | ALDH1A1 (0.38) | MEN1ALDH1A1KMT2ACYP1A2CYP2C19 | |
| SCHEMBL14198012 | 0.74 | CHRM5 (0.58) | MEN1ALDH1A1KMT2ACHRM5CYP19A1 | |
| SCHEMBL8253872 | 0.73 | CHRM5 (0.56) | MEN1ALDH1A1KMT2ACHRM5CYP19A1 | |
| SCHEMBL29042852 | 0.73 | CHRM5 (0.56) | MEN1ALDH1A1KMT2ACHRM5CYP19A1 | |
| SCHEMBL14462727 | 0.72 | MEN1 (0.59) | MEN1ALDH1A1KMT2ACHRM5TAAR1 | |
| SCHEMBL8048770 | 0.72 | CHRM5 (0.55) | CHRM5RELANFE2L2TAAR1CYP2D6 | |
| SCHEMBL22791460 | 0.71 | TAAR1 (0.57) | MEN1ALDH1A1KMT2ACHRM5CYP19A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5519048-A | 3-(indol-3-yl)-propenoic acid derivatives and pharmaceutical compositions thereof | MERRELL PHARMACEUTICALS INC. (US) | 1996-05-21 | — | — | US | disclosed |