Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | TACR1 | P25103 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.40 |
| ▸ | RYR2 | Q92736 | 1/20 | 0.39 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.39 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4680825 | 0.87 | MMP1 (0.51) | ALDH1A1ADRB1MEN1KMT2ASCN5A | |
| SCHEMBL3037782 | 0.86 | SMN1; SMN2 (0.54) | ALDH1A1ADRB1MEN1KMT2ANPSR1 | |
| Hydrochloric Acid SCHEMBL4681152 | 0.85 | MMP1 (0.50) | ALDH1A1ADRB1MEN1KMT2ASCN5A | |
| Hydrochloric Acid SCHEMBL4678485 | 0.84 | GRIN2B (0.53) | ALDH1A1ADRB1MEN1KMT2ANPSR1 | |
| SCHEMBL14653324 | 0.84 | SMN1; SMN2 (0.56) | ALDH1A1ADRB1MEN1KMT2AGRIN2B | |
| SCHEMBL543398 | 0.82 | ENPP2 (0.46) | MEN1KMT2ANPSR1TACR1GRIN2B | |
| SCHEMBL16232816 | 0.80 | KMT2A (0.53) | ALDH1A1MEN1KMT2AGRIN2BSMN1; SMN2 | |
| SCHEMBL1315633 | 0.80 | SLC29A1 (0.42) | ALDH1A1MEN1KMT2ANPSR1GRIN2B | |
| SCHEMBL171688 | 0.79 | ENPP2 (0.53) | — | |
| SCHEMBL542958 | 0.79 | PIM1 (0.44) | MEN1KMT2ANPSR1TACR1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2414330-A2 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS | Merck Patent GmbH (DE) | 2012-02-08 | — | — | EP | disclosed |
| WO-2010115491-A2 | PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS | MERCK PATENT GMBH (DE) | 2010-10-14 | — | — | WO | disclosed |