Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.84 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.84 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.84 |
| ▸ | NPC1 | O15118 | 3/20 | 0.84 |
| ▸ | RAB9A | P51151 | 3/20 | 0.84 |
| ▸ | MITF | O75030 | 2/20 | 0.84 |
| ▸ | MEN1 | O00255 | 2/20 | 0.84 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.84 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.84 |
| ▸ | HTT | P42858 | 3/20 | 0.68 |
| ▸ | LMNA | P02545 | 2/20 | 0.68 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.68 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.68 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.55 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL5993964 | 0.93 | ALDH1A1 (0.97) | ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A | |
| SCHEMBL5992289 | 0.92 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A | |
| SCHEMBL5992407 | 0.89 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A | |
| SCHEMBL5995217 | 0.89 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A | |
| SCHEMBL18770884 | 0.88 | MITF (0.71) | ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A | |
| SCHEMBL2604437 | 0.84 | CHRM2 (0.81) | ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A | |
| SCHEMBL5995052 | 0.83 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A | |
| SCHEMBL22289618 | 0.83 | MITF (0.60) | ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A | |
| SCHEMBL18763050 | 0.83 | MITF (0.64) | ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A | |
| SCHEMBL8430674 | 0.82 | MITF (0.59) | ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018047983-A1 | INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-03-15 | — | — | WO | disclosed |
| WO-2018047983-A1 | INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-03-15 | — | — | WO | disclosed |