Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | HTR7 | P34969 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9775196 | 0.84 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2HTTL3MBTL1NPSR1 | |
| SCHEMBL9775210 | 0.80 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2HTTL3MBTL1NPSR1 | |
| SCHEMBL9775143 | 0.75 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2HTTL3MBTL1NPSR1 | |
| SCHEMBL9775093 | 0.75 | NPC1 (0.57) | ALDH1A1SMN1; SMN2HTTL3MBTL1NPSR1 | |
| SCHEMBL12062252 | 0.71 | LMNA (0.47) | HTTL3MBTL1ACHELMNACYP3A4 | |
| SCHEMBL29275329 | 0.71 | NPC1 (0.55) | ALDH1A1SMN1; SMN2HTTL3MBTL1NPSR1 | |
| Methylamine SCHEMBL28096813 | 0.70 | LMNA (0.46) | ALDH1A1HTTL3MBTL1NPC1RAB9A | |
| SCHEMBL12062279 | 0.69 | KIF11 (0.50) | HTTL3MBTL1LMNA | |
| SCHEMBL9775226 | 0.69 | NPC1 (0.70) | ALDH1A1SMN1; SMN2L3MBTL1NPC1RAB9A | |
| SCHEMBL21102045 | 0.69 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1NPC1RAB9AHTR7 |
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 |