Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.43 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.40 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | THRA | P10827 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | PLK1 | P53350 | 4/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1018494 | 0.90 | PTPN1 (0.47) | CYP4F2CYP4A11PTPN1KMT2AAGTR1 | |
| SCHEMBL211284 | 0.86 | CSNK2A1 (0.55) | CSNK2A1MYCKMT2AALDH1A1GAA | |
| SCHEMBL29775265 | 0.86 | CSNK2A1 (0.55) | CSNK2A1MYCKMT2AALDH1A1GAA | |
| SCHEMBL7577375 | 0.84 | CYP4F2 (0.44) | CYP4F2CYP4A11KMT2ATHRATHRB | |
| SCHEMBL20157960 | 0.79 | SRD5A2 (0.49) | CYP4F2CYP4A11THRATHRBL3MBTL1 | |
| SCHEMBL20157821 | 0.79 | CYP4F2 (0.46) | CYP4F2CYP4A11KMT2ATHRATHRB | |
| SCHEMBL20157772 | 0.79 | LOXL2 (0.38) | CYP4F2CYP4A11KMT2ATHRATHRB | |
| SCHEMBL7532562 | 0.78 | ALDH1A1 (0.48) | PTPN1KMT2AAGTR1AGTR2ALDH1A1 | |
| SCHEMBL33493 | 0.78 | NR1H4 (0.50) | MYCCYP4F2CYP4A11AGTR1AGTR2 | |
| SCHEMBL10254119 | 0.78 | MAOB (0.43) | CYP4F2CYP4A11PTPN1KMT2ACES2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1244678-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA INC. (CA) | 2002-10-02 | — | — | EP | disclosed |
| 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-2001046206-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA & CO. (CA) | 2001-06-28 | — | — | WO | 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 |