Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.45 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | ACACA | Q13085 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11294913 | 0.86 | ALDH1A1 (0.46) | ALDH1A1GPR139LMNAHTT | |
| SCHEMBL10348015 | 0.85 | ALDH1A1 (0.45) | ALDH1A1GPR139LMNAHTT | |
| Hydrochloric Acid SCHEMBL4329941 | 0.85 | ALDH1A1 (0.45) | ALDH1A1GPR139LMNAHTT | |
| SCHEMBL27509786 | 0.83 | ALDH1A1 (0.59) | ALDH1A1GPR139LMNAHTT | |
| SCHEMBL185404 | 0.81 | NPC1 (0.44) | ALDH1A1HPGDMTNR1AMTNR1B | |
| SCHEMBL19658634 | 0.79 | L3MBTL1 (0.50) | ALDH1A1ACACBACACAHTTL3MBTL1 | |
| SCHEMBL20587889 | 0.79 | ACACB (0.43) | ACACBACACAHTTL3MBTL1MTNR1A | |
| SCHEMBL17018471 | 0.79 | HTT (0.66) | ALDH1A1ACACBACACALMNAHTT | |
| SCHEMBL28974132 | 0.79 | HTT (0.66) | ALDH1A1ACACBACACALMNAHTT | |
| SCHEMBL3679108 | 0.79 | ACACB (0.43) | ACACBACACAHTTL3MBTL1MTNR1A |
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-6399787-B1 | TRANSITION METAL COMPLEX | PENN STATE RESEARCH FOUNDATION | 2002-06-04 | — | — | US | disclosed |
| WO-1999059721-A1 | CATALYTIC ASYMMETRIC HYDROGENATION, HYDROFORMYLATION, AND HYDROVINYLATION VIA TRANSITION METAL CATALYSTS WITH PHOSPHINES AND PHOSPHITES | THE PENN STATE RESEARCH FOUNDATION (US) | 1999-11-25 | — | — | WO | disclosed |