Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11194320 | 0.83 | KMT2A (0.50) | KMT2ANPC1MEN1TSHRCYP1A2 | |
| SCHEMBL8726045 | 0.78 | MGLL (0.43) | KMT2AMAPK1MGLLRAB9ASMN1; SMN2 | |
| SCHEMBL11220212 | 0.74 | KMT2A (0.70) | KMT2ANPC1MEN1TSHRHPGD | |
| SCHEMBL13997654 | 0.74 | NR4A2 (0.49) | KMT2AMEN1CYP1A2CYP2C9HPGD | |
| SCHEMBL10917306 | 0.73 | KMT2A (0.71) | KMT2ANPC1MEN1TSHRHPGD | |
| SCHEMBL9724338 | 0.72 | SMN1; SMN2 (0.47) | KMT2ANPC1MEN1CYP1A2CYP2C9 | |
| SCHEMBL133554 | 0.72 | KMT2A (0.53) | KMT2ANPC1TSHRMAPK1MGLL | |
| SCHEMBL19309377 | 0.72 | KMT2A (0.53) | KMT2ANPC1TSHRMAPK1MGLL | |
| SCHEMBL10720603 | 0.71 | L3MBTL1 (0.50) | KMT2ANPC1MGLLRAB9ASMN1; SMN2 | |
| SCHEMBL9402099 | 0.71 | TSHR (0.64) | KMT2ANPC1MEN1TSHRHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0623028-A4 | NITROGEN-SULFUR LIGANDS AS OPIATE RECEPTOR MIMICS. | MALLINCKRODT MEDICAL INC (US) | 1995-03-29 | — | — | EP | disclosed |
| EP-0623028-A1 | NITROGEN-SULFUR LIGANDS AS OPIATE RECEPTOR MIMICS | MALLINCKRODT MEDICAL, INC. (US) | 1994-11-09 | — | — | EP | disclosed |
| WO-1993010823-A1 | NITROGEN-SULFUR LIGANDS AS OPIATE RECEPTOR MIMICS | MALLINCKRODT MEDICAL, INC. (US) | 1993-06-10 | — | — | WO | disclosed |