Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | CASP6 | P55212 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | BDKRB1 | P46663 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | STAT1 | P42224 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6379686 | 0.77 | KMT2A (0.49) | ALDH1A1KDM4ELMNAHDAC1HPGD | |
| SCHEMBL19459537 | 0.77 | ALDH1A1 (0.45) | ALDH1A1KDM4ELMNAHDAC1HPGD | |
| SCHEMBL6379676 | 0.75 | ALDH1A1 (0.50) | ALDH1A1KDM4ELMNAHDAC1HPGD | |
| SCHEMBL31531929 | 0.75 | FABP1 (0.44) | ALDH1A1KDM4ELMNACASP6HPGD | |
| Hydrazine SCHEMBL28200764 | 0.75 | CES2 (0.37) | CA1CA2CA9PKM | |
| SCHEMBL10338947 | 0.74 | BRD4 (0.54) | ALDH1A1KDM4ELMNAHPGDMAOA | |
| SCHEMBL29564249 | 0.74 | BRD4 (0.54) | ALDH1A1KDM4ELMNAHPGDMAOA | |
| SCHEMBL20051714 | 0.74 | HDAC1 (0.70) | ALDH1A1KDM4ELMNAHDAC1CA1 | |
| SCHEMBL30368335 | 0.73 | ALDH1A1 (0.52) | ALDH1A1KDM4ELMNAHDAC1HPGD | |
| SCHEMBL1430696 | 0.73 | ALDH1A1 (0.52) | ALDH1A1KDM4ELMNAHDAC1HPGD |
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-7373256-B2 | Method for the identification of molecules and biomarkers using chemical, biochemical and biological data | IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (ICSTM) (GB) | 2008-05-13 | — | — | US | disclosed |
| US-20070043518-A1 | Method for the identification of molecules and biomarkers using chemical, biochemical and biological data | IMPERIAL COLLEGE OF SCIENCE, TECHNOLOGY AND MEDICINE (ICSTM) (GB) | 2007-02-22 | — | — | US | disclosed |