Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | AGER | Q15109 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.35 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5220692 | 0.76 | NOS2 (0.53) | NAPRTKDM4EL3MBTL1MAPTALDH1A1 | |
| Methylamine SCHEMBL27663588 | 0.72 | NOS2 (0.53) | SMN1; SMN2KDM4EL3MBTL1MAPTALDH1A1 | |
| SCHEMBL3792409 | 0.71 | SMN1; SMN2 (0.40) | NAPRTSMN1; SMN2CYP1A2TNKS2KDM4E | |
| SCHEMBL28328220 | 0.70 | NAPRT (0.40) | NAPRTSMN1; SMN2CYP1A2KDM4ETDP1 | |
| Hydrochloric Acid SCHEMBL5778118 | 0.70 | SMN1; SMN2 (0.39) | NAPRTSMN1; SMN2CYP1A2TNKS2KDM4E | |
| SCHEMBL7481174 | 0.68 | CYP1A2 (0.41) | SMN1; SMN2CYP1A2TNKS2KDM4ETDP1 | |
| SCHEMBL699878 | 0.66 | CYP1A2 (0.58) | SMN1; SMN2CYP1A2TNKS2TDP1MAPT | |
| SCHEMBL27456055 | 0.65 | SMN1; SMN2 (0.35) | NAPRTSMN1; SMN2CYP1A2TNKS2KDM4E | |
| Methane SCHEMBL7703084 | 0.64 | SMN1; SMN2 (0.34) | NAPRTSMN1; SMN2CYP1A2TNKS2KDM4E | |
| SCHEMBL5697942 | 0.64 | CYP1A2 (0.40) | SMN1; SMN2CYP1A2TNKS2KDM4ETDP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1740551-A1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR | Takeda Pharmaceutical Company Limited (JP) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005105760-A1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-11-10 | — | — | WO | disclosed |