Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.50 |
| ▸ | RELA | Q04206 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.48 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL78427 | 0.79 | RELA (0.62) | CYP3A4PTPN1RELACYP1A2MEN1 | |
| SCHEMBL29462468 | 0.79 | RELA (0.62) | CYP3A4PTPN1RELACYP1A2MEN1 | |
| SCHEMBL29966677 | 0.79 | RELA (0.62) | CYP3A4PTPN1RELACYP1A2MEN1 | |
| SCHEMBL6552210 | 0.79 | RELA (0.62) | CYP3A4PTPN1RELACYP1A2MEN1 | |
| SCHEMBL78426 | 0.79 | RELA (0.62) | CYP3A4PTPN1RELACYP1A2MEN1 | |
| SCHEMBL8154912 | 0.78 | CYP3A4 (0.50) | CYP3A4PTPN1CYP1A2MEN1NPC1 | |
| SCHEMBL9877044 | 0.78 | ALOX5 (0.61) | — | |
| SCHEMBL1380884 | 0.77 | CYP3A4 (0.62) | CYP3A4PTPN1RELACYP1A2MEN1 | |
| Hydrochloric Acid SCHEMBL6781505 | 0.77 | RELA (0.60) | CYP3A4PTPN1RELACYP1A2MEN1 | |
| SCHEMBL1479925 | 0.77 | CYP3A4 (0.62) | CYP3A4PTPN1RELACYP1A2MEN1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6080770-A | SUBSTITUTED 1,2,3-TRIAZOLE OR 1,2,4-TRIAZOLE COMPOUND | NOVO NORDISK A/S (DK) | 2000-06-27 | — | — | US | disclosed |
| US-6063800-A | Modulators of molecules with phosphotyrosine recognition units | NOVO NORDISK A/S (DK) | 2000-05-16 | — | — | US | disclosed |
| US-5972978-A | FOR USE IN TREATMENT OF HUMAN AND ANIMAL DISORDERS, USE FOR PURIFICATION OF PROTEINS OR GLYCOPROTEINS, USE IN DIAGNOSIS | NOVO NORDISK A/S (DK) | 1999-10-26 | — | — | US | disclosed |
| US-5958957-A | PROTEIN TYROSINE PHOSPHATASES, PROTEINS WITH SRC-MONOLOGY 2-DOMAINS; ANTICARCINOGENIC,-TUMOR AND DIABETIC AGENTS; PURIFICATION OF PROTEINS AND GLYCOPROTEINS; MEDICAL DIAGNOSIS | NOVO NORDISK A/S (DK) | 1999-09-28 | — | — | US | disclosed |
| WO-1997040017-A2 | MODULATORS OF MOLECULES WITH PHOSPHOTYROSINE RECOGNITION UNITS | NOVO NORDISK A/S (DK) | 1997-10-30 | — | — | WO | disclosed |