Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 4/20 | 0.44 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 3/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL7375703 | 0.86 | POLB (0.47) | HTTMAPTALDH1A1KMT2ARAB9A | |
| SCHEMBL7388062 | 0.78 | SMYD3 (0.52) | HTTMAPTALDH1A1TP53SMYD3 | |
| SCHEMBL18706247 | 0.77 | SMYD3 (0.79) | KMT2ARAB9ASMYD3 | |
| SCHEMBL7375848 | 0.74 | ACHE (0.46) | HTTMAPTALDH1A1KMT2ARAB9A | |
| SCHEMBL7382874 | 0.71 | ACHE (0.46) | HTTMAPTALDH1A1KMT2ARAB9A | |
| SCHEMBL7383945 | 0.71 | ACHE (0.52) | MAPTTP53ACHEBCHECYP1A2 | |
| SCHEMBL5492773 | 0.71 | ACHE (0.56) | KMT2ASMN1; SMN2ACHEBCHECHRM1 | |
| Water SCHEMBL7385383 | 0.70 | ACHE (0.51) | MAPTTP53ACHEBCHECYP1A2 | |
| Water SCHEMBL7385385 | 0.70 | ACHE (0.51) | MAPTTP53ACHEBCHECYP1A2 | |
| SCHEMBL24214577 | 0.70 | FAAH (0.43) | MAPTALDH1A1KMT2ASMN1; SMN2ACHE |
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 |
|---|---|---|---|---|---|---|---|
| US-4851536-A | ANTIFLAMMATORY AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1989-07-25 | — | — | US | claimed |
| US-4970316-A | ANTIINFLAMMATORY AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1990-11-13 | — | — | US | disclosed |
| US-4851536-A | ANTIFLAMMATORY AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1989-07-25 | — | — | US | disclosed |