Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.53 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | NAMPT | P43490 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | FES | P07332 | 1/20 | 0.46 |
| ▸ | RET | P07949 | 1/20 | 0.46 |
| ▸ | MARK3 | P27448 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL4245622 | 0.85 | KMT2A (0.58) | KMT2ALMNATDP1CYP17A1CYP19A1 | |
| SCHEMBL28711108 | 0.85 | KMT2A (0.58) | KMT2ALMNATDP1CYP17A1CYP19A1 | |
| SCHEMBL4245629 | 0.84 | KMT2A (0.61) | KMT2ALMNATDP1CYP17A1CYP19A1 | |
| SCHEMBL12230963 | 0.84 | KMT2A (0.57) | KMT2ALMNATDP1CYP17A1CYP19A1 | |
| SCHEMBL2519199 | 0.82 | ALDH1A1 (0.61) | KMT2ALMNATDP1CYP17A1CYP19A1 | |
| SCHEMBL445196 | 0.82 | ALDH1A1 (0.61) | KMT2ALMNATDP1CYP17A1CYP19A1 | |
| SCHEMBL537263 | 0.82 | RECQL (0.56) | KMT2ALMNATDP1CYP17A1CYP19A1 | |
| Hydrochloric Acid SCHEMBL9220301 | 0.81 | ALDH1A1 (0.59) | KMT2ALMNATDP1CYP17A1CYP19A1 | |
| SCHEMBL2747668 | 0.81 | KDM4E (0.57) | KMT2ALMNATDP1CYP17A1CYP19A1 | |
| SCHEMBL28711109 | 0.81 | KMT2A (0.58) | KMT2ALMNATDP1CYP17A1CYP19A1 |
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-1991226-A2 | INHIBITORS OF HISTONE DEACETYLASE | Merck & Co., Inc. (US) | 2008-11-19 | — | — | EP | claimed |
| WO-2007100657-A2 | INHIBITORS OF HISTONE DEACETYLASE | MERCK & CO., INC. (US) | 2007-09-07 | — | — | WO | claimed |
| EP-0213571-A2 | 3-Aminomethyl pyrrol-1-yl-alkyl amines and medicaments containing these compounds | BASF Aktiengesellschaft (DE) | 1987-03-11 | — | — | EP | disclosed |