Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | HBB | P68871 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9804507 | 0.89 | SMN1; SMN2 (0.43) | SMN1; SMN2NPC1RAB9AMAPTMEN1 | |
| SCHEMBL10613260 | 0.85 | MAPK1 (0.42) | SMN1; SMN2NPC1RAB9AMAPTMEN1 | |
| SCHEMBL3038631 | 0.82 | CYP2A6 (0.41) | SMN1; SMN2KMT2ARAD52LMNAALDH1A1 | |
| SCHEMBL9804522 | 0.80 | SMN1; SMN2 (0.56) | SMN1; SMN2NPC1RAB9AMAPTMEN1 | |
| SCHEMBL10613289 | 0.80 | SMN1; SMN2 (0.56) | SMN1; SMN2NPC1RAB9AMAPTMEN1 | |
| SCHEMBL9804533 | 0.77 | MAPT (0.56) | SMN1; SMN2NPC1RAB9AMAPTMEN1 | |
| SCHEMBL9804751 | 0.77 | RAD52 (0.46) | MAPTMEN1KMT2AHPGDCYP1A2 | |
| SCHEMBL9804650 | 0.77 | RAD52 (0.51) | RAD52KDM4EBCHECHRM2CHRM4 | |
| SCHEMBL18774386 | 0.77 | MAPT (0.59) | SMN1; SMN2NPC1RAB9AMAPTMEN1 | |
| SCHEMBL20764316 | 0.76 | ALDH1A1 (0.46) | NPC1RAB9AMAPTCYP1A2CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0290591-B1 | MATERIALS WITH NITROGENOUS SIX-MEMBERED RINGS | MERCK PATENT GmbH (DE) | 1991-03-13 | — | — | EP | disclosed |
| EP-0290591-A1 | MATERIALS WITH NITROGENOUS SIX-MEMBERED RINGS. | MERCK PATENT GMBH (DE) | 1988-11-17 | — | — | EP | disclosed |
| WO-1988004305-A1 | MATERIALS WITH NITROGENOUS SIX-MEMBERED RINGS | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1988-06-16 | — | — | WO | disclosed |