Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | DAO | P14920 | 1/20 | 0.54 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.47 |
| ▸ | RXRA | P19793 | 1/20 | 0.46 |
| ▸ | RXRB | P28702 | 1/20 | 0.46 |
| ▸ | RXRG | P48443 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1221272 | 1.00 | TSHR (0.54) | TSHRDAONAPRTRAB9ANPC1 | |
| Benzoic Acid SCHEMBL28568837 | 0.93 | TSHR (0.64) | TSHRDAONAPRTRAB9ANPC1 | |
| SCHEMBL5581612 | 0.93 | TSHR (0.60) | TSHRDAONAPRTRAB9ANPC1 | |
| SCHEMBL2742818 | 0.87 | HPGD (0.70) | RAB9ANPC1HPGDMEN1KMT2A | |
| SCHEMBL9500449 | 0.85 | HPGD (0.74) | RAB9ANPC1HPGDMEN1KMT2A | |
| SCHEMBL8052120 | 0.85 | NPSR1 (0.59) | RAB9ANPC1HPGDKMT2AALDH1A1 | |
| SCHEMBL2636665 | 0.82 | MKNK1 (0.54) | RAB9ANPC1MEN1KMT2APOLB | |
| SCHEMBL9937583 | 0.82 | LTB4R2 (0.48) | NPC1MEN1KMT2APOLBCES2 | |
| SCHEMBL1246652 | 0.82 | TSHR (0.59) | TSHRDAONAPRTRAB9ANPC1 | |
| SCHEMBL2596293 | 0.82 | TSHR (0.59) | TSHRDAONAPRTRAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008157844-A1 | NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2008-12-24 | — | — | WO | disclosed |