Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | HPGD | P15428 | 3/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.68 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | ESRRA | P11474 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | F2R | P25116 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | PTPRC | P08575 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7641553 | 0.88 | NPC1 (0.58) | ALDH1A1HPGDMEN1LMNAKMT2A | |
| SCHEMBL11308861 | 0.87 | CYP3A4 (0.73) | ALDH1A1HPGDMEN1LMNAKMT2A | |
| SCHEMBL3674141 | 0.85 | CYP3A4 (0.75) | ALDH1A1HPGDMEN1LMNAKMT2A | |
| SCHEMBL14886138 | 0.83 | ALDH1A1 (0.70) | ALDH1A1HPGDMEN1LMNAKMT2A | |
| SCHEMBL11693512 | 0.83 | ALDH1A1 (0.65) | ALDH1A1HPGDMEN1LMNAKMT2A | |
| SCHEMBL21698047 | 0.82 | CYP3A4 (0.51) | ALDH1A1HPGDMEN1LMNAKMT2A | |
| SCHEMBL9137517 | 0.82 | GSTO1 (0.52) | ALDH1A1LMNACYP3A4TSHRNPC1 | |
| SCHEMBL7111208 | 0.82 | ALDH1A1 (0.63) | ALDH1A1HPGDMEN1LMNAKMT2A | |
| SCHEMBL7923953 | 0.81 | MAPT (0.54) | ALDH1A1MEN1KMT2ACYP3A4TSHR | |
| SCHEMBL11640106 | 0.81 | CYP3A4 (0.50) | ALDH1A1HPGDMEN1LMNAKMT2A |
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-20060110743-A1 | Drug evolution: drug design at hot spots | KONISHI YASUO | 2006-05-25 | — | — | US | disclosed |
| WO-2002095393-A2 | DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2002-11-28 | — | — | WO | disclosed |