Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 5/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.35 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13120863 | 0.73 | ALDH1A1 (0.49) | ALDH1A1HTTKDM4EPKMLMNA | |
| SCHEMBL14267707 | 0.72 | SIGMAR1 (0.48) | ALDH1A1HTTLMNAMAPTNPC1 | |
| SCHEMBL6955778 | 0.68 | ALDH1A1 (0.48) | ALDH1A1HTTKDM4EPKMLMNA | |
| SCHEMBL28136856 | 0.64 | TP53 (0.53) | ALDH1A1HTTKDM4EPKMLMNA | |
| SCHEMBL4707186 | 0.64 | TRPM8 (0.60) | ALDH1A1HTTKDM4EPKMLMNA | |
| SCHEMBL3219663 | 0.64 | SIGMAR1 (0.49) | ALDH1A1HTTLMNAMAPTNPC1 | |
| SCHEMBL3441758 | 0.62 | PYCR1 (0.53) | ALDH1A1HTTLMNAMAPTNPC1 | |
| SCHEMBL11682743 | 0.62 | ALDH1A1 (0.57) | ALDH1A1HTTLMNAMAPTSMN1; SMN2 | |
| SCHEMBL6963390 | 0.61 | ALDH1A1 (0.59) | ALDH1A1HTTKDM4EPKMLMNA | |
| SCHEMBL23550 | 0.61 | ALDH1A1 (0.60) | ALDH1A1LMNAMAPTMEN1KMT2A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1176956-B1 | CARBOXYLIC ACID DERIVATIVES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS | ENCYSIVE PHARMACEUTICALS INC (US) | 2008-01-09 | — | — | EP | disclosed |