Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11833630 | 0.82 | TSHR (0.54) | TSHRALDH1A1MAOAMAOBLMNA | |
| SCHEMBL424970 | 0.81 | TSHR (0.49) | TSHRCYP3A4CASP1RECQLCRBN | |
| SCHEMBL27626432 | 0.79 | DHFR (0.44) | ALDH1A1MAPK1DHFRMAOBTDP1 | |
| SCHEMBL5637889 | 0.78 | HTR1A (0.43) | ALDH1A1MAPK1MAOAMAOBNPC1 | |
| SCHEMBL27607584 | 0.78 | MAOA (0.49) | CYP3A4ALDH1A1MAPK1MAOAMAOB | |
| SCHEMBL19692896 | 0.78 | ALDH1A1 (0.39) | TSHRCYP3A4ALDH1A1MAPK1NPC1 | |
| SCHEMBL29650290 | 0.78 | ALDH1A1 (0.39) | TSHRCYP3A4ALDH1A1MAPK1NPC1 | |
| SCHEMBL6154261 | 0.77 | MAOB (0.55) | CYP3A4ALDH1A1LTB4RMAPK1MAOA | |
| SCHEMBL7354068 | 0.77 | CRBN (0.43) | CYP3A4CASP1RECQLCRBNBACE1 | |
| SCHEMBL4424118 | 0.77 | BACE1 (0.43) | TSHRCYP3A4CASP1RECQLCRBN |
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 |
|---|---|---|---|---|---|---|---|
| JP-5255291-A | — | — | None | — | — | JP | disclosed |
| JP-H05255291-A | PIPERAZINE DERIVATIVE | AJINOMOTO CO INC | 1993-10-05 | — | — | JP | disclosed |