Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | RAB9A | P51151 | 4/20 | 0.59 |
| ▸ | NPC1 | O15118 | 3/20 | 0.59 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.53 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.53 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.53 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.53 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.53 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28667334 | 0.90 | CYP3A4 (0.56) | ALDH1A1RAB9ANPC1HDAC1HDAC2 | |
| SCHEMBL9775226 | 0.86 | NPC1 (0.70) | ALDH1A1RAB9ANPC1HDAC1HDAC2 | |
| Dibenzoylmethane SCHEMBL29013375 | 0.86 | KMT2A (0.63) | ALDH1A1RAB9ANPC1HDAC1HDAC2 | |
| SCHEMBL9463394 | 0.85 | ALDH1A1 (0.73) | ALDH1A1RAB9ANPC1HDAC1HDAC2 | |
| SCHEMBL9621827 | 0.83 | ALDH1A1 (0.66) | ALDH1A1RAB9ANPC1HDAC1HDAC2 | |
| SCHEMBL11801841 | 0.82 | TDP1 (0.67) | ALDH1A1RAB9ANPC1HDAC1HDAC2 | |
| SCHEMBL8845796 | 0.81 | TDP1 (0.69) | ALDH1A1RAB9ANPC1HDAC1HDAC2 | |
| SCHEMBL9108221 | 0.79 | ALDH1A1 (0.60) | ALDH1A1RAB9ANPC1HDAC1HDAC2 | |
| SCHEMBL27271332 | 0.78 | ALDH1A1 (0.68) | ALDH1A1RAB9ANPC1HDAC1HDAC2 | |
| SCHEMBL9180801 | 0.78 | TDP1 (0.59) | ALDH1A1RAB9ANPC1HDAC1HDAC2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0454623-B1 | Process for the production of linear 1,3-diketones | CIBA GEIGY AG (CH) | 1995-09-13 | — | — | EP | disclosed |
| US-5344992-A | Claisen condensation | CIBA-GEIGY CORPORATION (US) | 1994-09-06 | — | — | US | disclosed |
| EP-0454623-A1 | Process for the production of linear 1,3-diketones | CIBA-GEIGY AG (CH) | 1991-10-30 | — | — | EP | disclosed |