Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 7/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.36 |
| ▸ | NPC1 | O15118 | 6/20 | 0.36 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL13269951 | 0.79 | KLKB1 (0.45) | RAB9ASMN1; SMN2NPC1KLKB1HTT | |
| SCHEMBL13117299 | 0.77 | TSHR (0.47) | SMN1; SMN2KLKB1HTTTP53F2 | |
| SCHEMBL13947097 | 0.72 | MAPT (0.46) | MAPTCYP3A4RAB9ASMN1; SMN2NPC1 | |
| SCHEMBL12852556 | 0.69 | SLC6A4 (0.38) | TP53 | |
| SCHEMBL9269242 | 0.67 | CTRC (0.38) | CYP2C9CYP3A4CYP2D6CYP2C19CYP1A2 | |
| SCHEMBL25679594 | 0.66 | CD274 (0.49) | KMT2A | |
| SCHEMBL18131334 | 0.65 | HTT (0.42) | RAB9AHTTALDH1A1 | |
| SCHEMBL31644177 | 0.65 | MEN1 (0.41) | HPGDALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL3509762 | 0.65 | MEN1 (0.41) | HPGDALDH1A1MEN1KMT2ALMNA | |
| SCHEMBL8528430 | 0.65 | RECQL (0.42) | MAPTSMN1; SMN2ALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| JP-9067342-A | — | — | None | — | — | JP | disclosed |
| JP-H0967342-A | PRODUCTION OF GUANIDINE DERIVATIVE, NEW INTERMEDIATE AND ITS PRODUCTION | TAKEDA CHEM IND LTD | 1997-03-11 | — | — | JP | disclosed |