Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PIM1 | P11309 | 2/20 | 0.43 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20985616 | 0.83 | KDM4E (0.45) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL16060090 | 0.80 | KDM4E (0.42) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL7014981 | 0.79 | CYP2A6 (0.60) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL18952605 | 0.75 | TGFBR1 (0.40) | NPC1PIM1GRM5CYP1A2DCTPP1 | |
| [2,3'']Bipyridinyl SCHEMBL29360744 | 0.74 | CYP2A6 (1.00) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| [2,3'']Bipyridinyl SCHEMBL29389597 | 0.74 | CYP2A6 (1.00) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| [2,3'']Bipyridinyl SCHEMBL998601 | 0.74 | CYP2A6 (1.00) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| [2,3'']Bipyridinyl SCHEMBL29486847 | 0.74 | CYP2A6 (1.00) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| SCHEMBL27668844 | 0.74 | CYP2A6 (0.60) | CYP2A6NPC1TP53RAB9ASMN1; SMN2 | |
| [2,3'']Bipyridinyl SCHEMBL1418333 | 0.72 | CYP2A6 (0.96) | CYP2A6NPC1TP53RAB9ASMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1454211-A | Nitrogen containing heterobicycles as factor xa inhibitors | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2003-11-05 | — | — | CN | disclosed |
| EP-1175419-A2 | ARYL SULFONYLS AS FACTOR XA INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2002-01-30 | — | — | EP | disclosed |
| WO-1999032454-A9 | NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS | DU PONT PHARM CO (US) | 2001-05-31 | — | — | WO | disclosed |
| WO-2000059902-A2 | ARYL SULFONYLS AS FACTOR XA INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-10-12 | — | — | WO | disclosed |
| EP-1042299-A1 | NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2000-10-11 | — | — | EP | disclosed |
| EP-0946528-A2 | OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS | Du Pont Pharmaceuticals Company (US) | 1999-10-06 | — | — | EP | disclosed |
| WO-1999032454-A1 | NITROGEN CONTAINING HETEROAROMATICS WITH ORTHO-SUBSTITUTED P1'S AS FACTOR XA INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1999-07-01 | — | — | WO | disclosed |
| WO-1998028282-A2 | OXYGEN OR SULFUR CONTAINING 5-MEMBERED HETEROAROMATICS AS FACTOR Xa INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 1998-07-02 | — | — | WO | disclosed |