Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACP1 | P24666 | 1/20 | 0.52 |
| ▸ | PTPN12 | Q05209 | 1/20 | 0.52 |
| ▸ | PTPN13 | Q12923 | 1/20 | 0.52 |
| ▸ | SSU72 | Q9NP77 | 1/20 | 0.52 |
| ▸ | PPARA | Q07869 | 2/20 | 0.52 |
| ▸ | PPARD | Q03181 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.49 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.49 |
| ▸ | RELA | Q04206 | 2/20 | 0.49 |
| ▸ | MRGPRX4 | Q96LA9 | 8/20 | 0.48 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | XBP1 | P17861 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | MITF | O75030 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL38659146 | 0.80 | ACP1 (0.53) | ACP1PTPN12PTPN13SSU72NPC1 | |
| SCHEMBL9416618 | 0.79 | MMP1 (0.55) | SMN1; SMN2KMT2ARXRAHTT | |
| SCHEMBL8332027 | 0.77 | PPARG (0.64) | PPARAPPARDP4HTM | |
| SCHEMBL10172543 | 0.77 | NPC1 (0.52) | ACP1PTPN12PTPN13SSU72NPC1 | |
| SCHEMBL8768182 | 0.77 | NPC1 (0.52) | ACP1PTPN12PTPN13SSU72NPC1 | |
| SCHEMBL7142420 | 0.77 | KMT2A (0.61) | PPARASMN1; SMN2MEN1KMT2A | |
| SCHEMBL2510091 | 0.76 | SLC7A5 (0.54) | ACP1PTPN12PTPN13SSU72NPC1 | |
| SCHEMBL7611564 | 0.76 | ACP1 (0.49) | ACP1PTPN12PTPN13SSU72NPC1 | |
| SCHEMBL5569175 | 0.76 | ALOX5 (0.47) | PPARAMRGPRX4RXRARXRB | |
| SCHEMBL7611570 | 0.75 | ACP1 (0.51) | ACP1PTPN12PTPN13SSU72NPC1 |
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-5962462-A | COMPOUNDS WHICH INHIBIT THE ENTRY OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) INTO TARGET CELLS; DELAYING THE ONSET OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS). | MERCK & CO., INC. (US) | 1999-10-05 | — | — | US | disclosed |
| WO-1998025605-A1 | SPIRO-SUBSTITUTED AZACYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1998-06-18 | — | — | WO | disclosed |