Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.66 |
| ▸ | NPC1 | O15118 | 6/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.66 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.66 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.66 |
| ▸ | RELA | Q04206 | 2/20 | 0.66 |
| ▸ | MAPT | P10636 | 3/20 | 0.60 |
| ▸ | STAT3 | P40763 | 1/20 | 0.60 |
| ▸ | ATM | Q13315 | 1/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | CASP3 | P42574 | 2/20 | 0.57 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.57 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.57 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.57 |
| ▸ | RARB | P10826 | 6/20 | 0.54 |
| ▸ | RARA | P10276 | 1/20 | 0.54 |
| ▸ | RARG | P13631 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL10772505 | 1.00 | RAB9A (0.66) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL10472807 | 1.00 | RAB9A (0.66) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL10775205 | 0.96 | RAB9A (0.61) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL10770618 | 0.96 | RAB9A (0.61) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL10775348 | 0.96 | RAB9A (0.61) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL10773307 | 0.91 | RAB9A (0.55) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL10771760 | 0.91 | RAB9A (0.55) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL10773933 | 0.91 | RAB9A (0.55) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9840807 | 0.83 | HPSE (0.48) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL9839420 | 0.83 | HPSE (0.48) | RAB9ANPC1SMN1; SMN2NFKB1NFKB2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4898455-A | Pyridine liquid crystalline compounds | HOFFMANN-LA ROCHE INC. (US) | 1990-02-06 | — | — | US | disclosed |
| EP-0242716-A1 | Liquid-crystalline pyridine derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1987-10-28 | — | — | EP | disclosed |