Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | MITF | O75030 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | ACACB | O00763 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.30 |
| ▸ | ALPL | P05186 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 3/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2583674 | 0.69 | MEN1 (0.51) | ALDH1A1KDM4ESMN1; SMN2KMT2ANPC1 | |
| SCHEMBL4314225 | 0.67 | GABRA1 (0.54) | ALDH1A1KDM4ESMN1; SMN2KMT2ACYP1A2 | |
| SCHEMBL3787400 | 0.67 | CYP4F2 (0.35) | ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A | |
| SCHEMBL3716250 | 0.63 | ALDH1A1 (0.46) | ALDH1A1KMT2ACYP1A2HTTLMNA | |
| SCHEMBL1790914 | 0.63 | ALDH1A1 (0.39) | ALDH1A1KDM4ECYP3A4TDP1TSHR | |
| SCHEMBL1847342 | 0.62 | L3MBTL1 (0.43) | ALDH1A1KDM4ESMN1; SMN2LMNAL3MBTL1 | |
| SCHEMBL21742338 | 0.61 | TSHR (0.54) | ALDH1A1KDM4ESMN1; SMN2KMT2ACYP1A2 | |
| SCHEMBL1694877 | 0.60 | HCAR2 (0.61) | ALDH1A1KMT2ACYP3A4HCAR2LMNA | |
| SCHEMBL3786370 | 0.60 | HCAR2 (0.61) | ALDH1A1KMT2ACYP3A4HCAR2LMNA | |
| SCHEMBL3625229 | 0.60 | HCAR2 (0.61) | ALDH1A1KMT2ACYP3A4HCAR2LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2231633-A1 | ANTITUMORAL COMPOUNDS | Pharma Mar S.A. (ES) | 2010-09-29 | — | — | EP | disclosed |
| WO-2009080761-A1 | ANTITUMORAL COMPOUNDS | PHARMA MAR, S.A. (ES) | 2009-07-02 | — | — | WO | disclosed |