Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.63 |
| ▸ | TSHR | P16473 | 1/20 | 0.63 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.51 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.50 |
| ▸ | PDK4 | Q16654 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL14811027 | 0.84 | ALDH1A1 (0.81) | ALDH1A1TSHRKMT2AMEN1NPC1 | |
| Bicarbonate SCHEMBL4671806 | 0.84 | ALDH1A1 (0.81) | ALDH1A1TSHRKMT2AMEN1NPC1 | |
| SCHEMBL30062 | 0.84 | ALDH1A1 (0.58) | ALDH1A1TSHRKMT2AMEN1NPC1 | |
| SCHEMBL4039494 | 0.84 | ALDH1A1 (0.58) | ALDH1A1TSHRKMT2AMEN1NPC1 | |
| Acetic Acid SCHEMBL3621604 | 0.82 | ALDH1A1 (0.77) | ALDH1A1TSHRKMT2AMEN1NPC1 | |
| Oxalic Acid SCHEMBL11785204 | 0.82 | ALDH1A1 (0.77) | ALDH1A1TSHRKMT2AMEN1NPC1 | |
| Hydrochloric Acid SCHEMBL27700835 | 0.82 | ALDH1A1 (0.56) | ALDH1A1TSHRKMT2AMEN1NPC1 | |
| Bromide SCHEMBL7641961 | 0.82 | ALDH1A1 (0.56) | ALDH1A1TSHRKMT2AMEN1NPC1 | |
| Iodide SCHEMBL27448064 | 0.82 | ALDH1A1 (0.56) | ALDH1A1TSHRKMT2AMEN1NPC1 | |
| Hydrochloric Acid SCHEMBL3656248 | 0.82 | ALDH1A1 (0.56) | ALDH1A1TSHRKMT2AMEN1NPC1 |
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-0558656-A1 | NEW METHODS FOR THE CATALYTIC REDUCTION OF ORGANIC SUBSTRATES. | MASSACHUSETTS INST TECHNOLOGY (US) | 1993-09-08 | — | — | EP | disclosed |
| WO-1992009545-A2 | NEW METHODS FOR THE CATALYTIC REDUCTION OF ORGANIC SUBSTRATES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1992-06-11 | — | — | WO | disclosed |