Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR6 | P50406 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | CRHBP | P24387 | 1/20 | 0.47 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10991718 | 0.81 | HTR6 (0.62) | HTR6HPGDTSHRKMT2AGAA | |
| SCHEMBL20379649 | 0.79 | HTR6 (0.53) | HTR6ALDH1A1HPGDKMT2AATM | |
| SCHEMBL28401182 | 0.79 | ALDH1A1 (0.72) | ALDH1A1HPGDKMT2APTPN1CYP2C9 | |
| SCHEMBL10893891 | 0.79 | HTR6 (0.64) | HTR6ALDH1A1HPGDTSHRKMT2A | |
| SCHEMBL28213364 | 0.77 | HTR6 (0.61) | HTR6ALDH1A1HPGDTSHRKMT2A | |
| SCHEMBL10727900 | 0.76 | HTR6 (0.56) | HTR6ALDH1A1TSHRKMT2ACYP2C9 | |
| SCHEMBL25385787 | 0.75 | HTR6 (0.51) | HTR6ALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL11306455 | 0.75 | ALDH1A1 (0.62) | ALDH1A1HPGDKMT2ACYP2C9CYP2C19 | |
| SCHEMBL30567090 | 0.75 | HTR6 (0.48) | HTR6KMT2ALMNAPOLB | |
| SCHEMBL69360 | 0.75 | NPC1 (0.71) | ALDH1A1HPGDKMT2ACYP2C9CYP2C19 |
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-5550246-A | Calicheamicin mimics | THE SCRIPPS RESEARCH INSTITUTE (US) | 1996-08-27 | — | — | US | disclosed |
| WO-1996007652-A1 | CALICHEAMICIN MIMICS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1996-03-14 | — | — | WO | disclosed |