Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | SLC6A5 | Q9Y345 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | NOX4 | Q9NPH5 | 1/20 | 0.39 |
| ▸ | ESRRG | P62508 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 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 | |
|---|---|---|---|---|
| SCHEMBL6926778 | 0.85 | NPC1 (0.56) | KMT2AMEN1NPC1RAB9AMAPT | |
| SCHEMBL6927379 | 0.78 | HPGD (0.54) | KMT2AMEN1POLBMAPTHPGD | |
| SCHEMBL6924939 | 0.76 | ALDH1A1 (0.42) | KMT2AMEN1POLBNPC1RAB9A | |
| SCHEMBL7354681 | 0.75 | KMT2A (0.40) | KMT2AMEN1HPGDHSD17B10ALDH1A1 | |
| SCHEMBL6924709 | 0.74 | SMN1; SMN2 (0.51) | KMT2AMEN1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL7735938 | 0.71 | C1S (0.53) | KMT2ANPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL6926730 | 0.70 | TACR3 (0.43) | HPGDHSD17B10ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6924633 | 0.70 | C1S (0.52) | KMT2ANPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL6925163 | 0.70 | KEAP1 (0.47) | KMT2AMEN1POLBNPC1RAB9A | |
| SCHEMBL5306684 | 0.68 | MTNR1A (0.52) | NPC1RAB9APKMAKR1B1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1152759-A2 | METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2001-11-14 | — | — | EP | disclosed |
| EP-1150979-A1 | HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2001-11-07 | — | — | EP | disclosed |
| WO-2000047194-A9 | METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR | DIMENSIONAL PHARM INC (US) | 2001-05-31 | — | — | WO | disclosed |
| EP-1054886-A1 | HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-11-29 | — | — | EP | disclosed |
| WO-2000047578-A1 | HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-08-17 | — | — | WO | disclosed |
| WO-2000047194-A2 | METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-08-17 | — | — | WO | disclosed |
| WO-1999040088-A1 | HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 1999-08-12 | — | — | WO | disclosed |