Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.70 |
| ▸ | NPC1 | O15118 | 3/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | PTGES | O14684 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL9775226 | 0.89 | NPC1 (0.70) | RAB9ANPC1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL9775220 | 0.86 | HSP90AA1 (0.60) | RAB9ANPC1ALDH1A1HPGDL3MBTL1 | |
| SCHEMBL9775143 | 0.85 | ALDH1A1 (0.58) | RAB9ANPC1ALDH1A1L3MBTL1LMNA | |
| SCHEMBL417732 | 0.82 | ALDH1A1 (0.70) | RAB9ANPC1ALDH1A1HPGDCYP1A2 | |
| SCHEMBL9565777 | 0.80 | MEN1 (0.64) | RAB9ANPC1ALDH1A1HPGDCYP1A2 | |
| SCHEMBL9775138 | 0.80 | HPGD (0.48) | RAB9ANPC1ALDH1A1HPGDCYP1A2 | |
| SCHEMBL1951429 | 0.79 | HSP90AA1 (0.55) | RAB9ANPC1ALDH1A1HPGDCYP1A2 | |
| SCHEMBL17131550 | 0.78 | HPGD (0.53) | RAB9ANPC1ALDH1A1HPGDCYP1A2 | |
| SCHEMBL9775210 | 0.78 | ALDH1A1 (0.61) | RAB9ANPC1ALDH1A1L3MBTL1LMNA | |
| SCHEMBL9108221 | 0.78 | ALDH1A1 (0.60) | RAB9ANPC1ALDH1A1HPGDCYP1A2 |
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-5075339-A | Antiinflammatory agents, antiallergens | DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-12-24 | — | — | US | disclosed |
| US-4948813-A | Benzylketone phospholipase A2 inhibitors | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1990-08-14 | — | — | US | disclosed |