Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 3/20 | 0.55 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | HPGD | P15428 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16200829 | 0.93 | PDPK1 (0.59) | PDPK1PTGS2ALDH1A1HPGDCYP1A2 | |
| SCHEMBL14825410 | 0.88 | PDPK1 (0.62) | PDPK1PTGS2ALDH1A1HPGDCYP1A2 | |
| SCHEMBL12054881 | 0.85 | PDPK1 (0.75) | PDPK1PTGS2ALDH1A1HPGDCYP1A2 | |
| SCHEMBL15000396 | 0.84 | PDPK1 (0.55) | PDPK1PTGS2ALDH1A1HPGDCYP1A2 | |
| SCHEMBL16196163 | 0.80 | CA9 (0.59) | PDPK1PTGS2CA9 | |
| SCHEMBL16195916 | 0.80 | PDPK1 (0.56) | PDPK1PTGS2ALDH1A1CA9 | |
| SCHEMBL2602397 | 0.79 | PDPK1 (0.62) | PDPK1PTGS2ALDH1A1HPGDCA9 | |
| SCHEMBL2719679 | 0.79 | PTGS2 (0.65) | PDPK1PTGS2TP53CA9NPC1 | |
| SCHEMBL16196304 | 0.79 | PDPK1 (0.80) | PDPK1PTGS2TP53MAPTSMN1; SMN2 | |
| SCHEMBL15346617 | 0.79 | ALDH1A1 (0.70) | PDPK1PTGS2ALDH1A1HPGDCYP1A2 |
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-9156790-B2 | Anticancer P21-activated kinase inhibitors | OHIO STATE INNOVATION FOUNDATION (US) | 2015-10-13 | — | — | US | disclosed |