Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 3/20 | 0.56 |
| ▸ | P4HB | P07237 | 1/20 | 0.56 |
| ▸ | ELANE | P08246 | 4/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | PTP4A3 | O75365 | 1/20 | 0.53 |
| ▸ | GMNN | O75496 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL20364889 | 0.86 | PIM1 (0.56) | PIM1P4HBELANEALDH1A1MAPT | |
| SCHEMBL20364866 | 0.82 | PIM1 (0.59) | PIM1ELANEALDH1A1MAPTMEN1 | |
| SCHEMBL11919739 | 0.82 | PIM1 (0.59) | PIM1P4HBELANEALDH1A1MAPT | |
| SCHEMBL10402096 | 0.77 | ELANE (0.56) | PIM1P4HBELANEALDH1A1MAPT | |
| SCHEMBL12304029 | 0.75 | ELANE (0.85) | PIM1ELANEALDH1A1MAPTMEN1 | |
| SCHEMBL20364871 | 0.74 | ELANE (0.59) | PIM1ELANEALDH1A1MAPTMEN1 | |
| Ramentaceone SCHEMBL30594728 | 0.72 | PIM1 (1.00) | PIM1P4HBELANEALDH1A1MAPT | |
| Ramentaceone SCHEMBL5904880 | 0.72 | PIM1 (1.00) | PIM1P4HBELANEALDH1A1MAPT | |
| SCHEMBL5809753 | 0.71 | PIM1 (0.59) | PIM1ELANEALDH1A1MAPTMEN1 | |
| SCHEMBL868197 | 0.71 | P4HB (1.00) | P4HBALDH1A1MAPTMEN1CYP3A4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150302140-A1 | IN SILICO IDENTIFICATION OF CANCER MOLECULAR SIGNALING PATHWAYS AND DRUG CANDIDATES | H. LEE MOFFIT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2015-10-22 | — | — | US | disclosed |