Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.67 |
| ▸ | HPGD | P15428 | 4/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | NPC1 | O15118 | 4/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | NAMPT | P43490 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL21674211 | 0.87 | SMN1; SMN2 (0.65) | ALDH1A1HPGDKMT2ANPC1RAB9A | |
| SCHEMBL21674205 | 0.86 | CA1 (0.55) | ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2056358 | 0.85 | HPGD (0.64) | ALDH1A1HPGDKMT2ANPC1RAB9A | |
| SCHEMBL13009924 | 0.85 | ALDH1A1 (0.54) | ALDH1A1HPGDKMT2ANPC1RAB9A | |
| SCHEMBL7445362 | 0.85 | HPGD (0.64) | ALDH1A1HPGDKMT2ANPC1RAB9A | |
| SCHEMBL19465880 | 0.83 | HPGD (0.62) | ALDH1A1HPGDKMT2ANPC1RAB9A | |
| SCHEMBL19634404 | 0.83 | LOXL2 (0.64) | ALDH1A1HPGDKMT2ANPC1NAMPT | |
| SCHEMBL28511410 | 0.83 | SMN1; SMN2 (0.59) | ALDH1A1HPGDKMT2ANPC1RAB9A | |
| SCHEMBL12964846 | 0.83 | ALDH1A1 (0.57) | ALDH1A1NPC1RAB9ASMN1; SMN2POLB | |
| SCHEMBL21674210 | 0.82 | MAPK1 (0.62) | ALDH1A1NPC1RAB9APOLB |
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-9790245-B2 | Water soluble catalysts for NMR/MRI enhancement | VANDERBILT UNIVERSITY (US) | 2017-10-17 | — | — | US | disclosed |
| EP-0661266-A1 | Substituted cyclic amine compounds as 5HT2 antagonists | TOA EIYO LTD. (JP) | 1995-07-05 | — | — | EP | disclosed |