Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.47 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.46 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.46 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL338530 | 0.88 | FOLH1 (0.53) | KMT2AMAPTHPGDMEN1SMN1; SMN2 | |
| SCHEMBL2571844 | 0.83 | L3MBTL1 (0.62) | NPC1KMT2AMAPTMEN1HTT | |
| SCHEMBL27892309 | 0.83 | AKR1C3 (0.57) | NPC1MAPTHPGDSMN1; SMN2RAB9A | |
| SCHEMBL27683875 | 0.81 | NPC1 (0.49) | NPC1KMT2AMAPTHPGDALOX12 | |
| SCHEMBL9461857 | 0.79 | RAB9A (0.50) | NPC1KMT2AMAPTHPGDALOX12 | |
| SCHEMBL8956355 | 0.78 | ALDH1A1 (0.54) | NPC1KMT2AMAPTHPGDALOX12 | |
| SCHEMBL1121619 | 0.78 | ALDH1A1 (0.52) | NPC1KMT2AMAPTHPGDALOX12 | |
| SCHEMBL682591 | 0.77 | L3MBTL1 (0.67) | NPC1MAPTSMN1; SMN2RAB9AHSD11B1 | |
| SCHEMBL30965933 | 0.77 | ABCB11 (0.52) | NPC1KMT2AMAPTHPGDALOX12 | |
| SCHEMBL22776859 | 0.77 | ABCB11 (0.52) | NPC1KMT2AMAPTHPGDALOX12 |
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-1242432-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA INC. (CA) | 2002-09-25 | — | — | EP | disclosed |
| WO-2001046205-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA & CO. (CA) | 2001-06-28 | — | — | WO | disclosed |