Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 2/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | RECQL | P46063 | 1/20 | 0.56 |
| ▸ | PARP1 | P09874 | 1/20 | 0.55 |
| ▸ | NCF1 | P14598 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL19070392 | 0.87 | ALDH1A1 (0.62) | ALDH1A1RAB9ANPC1TP53SMN1; SMN2 | |
| SCHEMBL29809011 | 0.86 | HPGD (0.59) | ALDH1A1RAB9ANPC1TP53SMN1; SMN2 | |
| SCHEMBL24732812 | 0.86 | HPGD (0.59) | ALDH1A1RAB9ANPC1TP53SMN1; SMN2 | |
| SCHEMBL7901271 | 0.85 | RAB9A (0.67) | ALDH1A1RAB9ANPC1TP53SMN1; SMN2 | |
| SCHEMBL17078828 | 0.85 | ALDH1A1 (0.61) | ALDH1A1RAB9ANPC1TP53SMN1; SMN2 | |
| SCHEMBL19634704 | 0.85 | HPGD (0.60) | ALDH1A1RAB9ANPC1TP53SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL5728719 | 0.85 | HPGD (0.58) | ALDH1A1RAB9ANPC1TP53SMN1; SMN2 | |
| SCHEMBL19580519 | 0.84 | PHGDH (0.63) | ALDH1A1SMN1; SMN2L3MBTL1HPGDKDM4E | |
| SCHEMBL10720509 | 0.84 | L3MBTL1 (0.71) | ALDH1A1RAB9AL3MBTL1HPGDKDM4E | |
| SCHEMBL9472983 | 0.83 | RAB9A (0.61) | ALDH1A1RAB9ANPC1TP53SMN1; SMN2 |
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-2017200984-A1 | NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF | S&T GLOBAL INC. (US) | 2017-11-23 | — | — | WO | disclosed |
| EP-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |