Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL8919779 | 1.00 | ALDH1A1 (0.53) | ALDH1A1TSHRAKR1C3LMNAHTT | |
| SCHEMBL8919775 | 1.00 | ALDH1A1 (0.53) | ALDH1A1TSHRAKR1C3LMNAHTT | |
| SCHEMBL3485765 | 0.85 | AKR1C3 (0.55) | ALDH1A1TSHRAKR1C3HTTSMN1; SMN2 | |
| SCHEMBL83065 | 0.85 | AKR1C3 (0.55) | ALDH1A1TSHRAKR1C3HTTSMN1; SMN2 | |
| SCHEMBL3818255 | 0.85 | AKR1C3 (0.55) | ALDH1A1TSHRAKR1C3HTTSMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL4743624 | 0.83 | ABCG2 (0.56) | ALDH1A1TSHRAKR1C3HTTSMN1; SMN2 | |
| SCHEMBL8351839 | 0.83 | AKR1C3 (0.53) | ALDH1A1TSHRAKR1C3HTTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL10437231 | 0.83 | AKR1C3 (0.53) | ALDH1A1TSHRAKR1C3HTTSMN1; SMN2 | |
| SCHEMBL8920981 | 0.82 | CYP1A2 (0.46) | ALDH1A1LMNASMN1; SMN2MAPTNPC1 | |
| SCHEMBL8920984 | 0.82 | CYP1A2 (0.46) | ALDH1A1LMNASMN1; SMN2MAPTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0802897-A1 | NOVEL COMPOUNDS | Smithkline Beecham S.p.A. (IT) | 1997-10-29 | — | — | EP | disclosed |
| WO-1996021638-A1 | NOVEL COMPOUNDS | SMITHKLINE BEECHAM S.P.A. (IT) | 1996-07-18 | — | — | WO | disclosed |