Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.52 |
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1395452 | 0.83 | KMT2A (0.52) | KMT2AHPGDTSHRNPSR1MAPT | |
| SCHEMBL1692271 | 0.80 | HPGD (0.65) | CES2CES1KMT2AHPGDTSHR | |
| SCHEMBL13204521 | 0.80 | HPGD (0.65) | CES2CES1KMT2AHPGDTSHR | |
| SCHEMBL19118080 | 0.80 | HPGD (0.65) | CES2CES1KMT2AHPGDTSHR | |
| SCHEMBL14868117 | 0.80 | KMT2A (0.48) | KMT2AHPGDTSHRNPSR1LMNA | |
| SCHEMBL5610465 | 0.79 | CES2 (0.61) | CES2CES1KMT2AHPGDNPSR1 | |
| SCHEMBL26982460 | 0.79 | SRC (0.55) | KMT2AHPGDTSHRNPSR1LMNA | |
| SCHEMBL27533616 | 0.79 | KMT2A (0.47) | KMT2AHPGDTSHRNPSR1LMNA | |
| SCHEMBL14218401 | 0.78 | KMT2A (0.51) | KMT2AHPGDTSHRNPSR1LMNA | |
| SCHEMBL27633067 | 0.77 | KMT2A (0.55) | KMT2AHPGDTSHRNPSR1LMNA |
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-6136842-A | INHIBITION OF ENDOTHELIN-CONVERTING ENZYME | HOECHST MARION ROUSSEL (FR) | 2000-10-24 | — | — | US | disclosed |