Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17230502 | 0.83 | CA12 (0.51) | ALDH1A1HPGDLMNASMN1; SMN2KDM4E | |
| SCHEMBL1998286 | 0.83 | ALDH1A1 (0.60) | ALDH1A1HPGDLMNASMN1; SMN2KDM4E | |
| SCHEMBL4428520 | 0.81 | ALDH1A1 (0.43) | ALDH1A1HPGDLMNASMN1; SMN2KDM4E | |
| SCHEMBL2994450 | 0.81 | CA1 (0.61) | ALDH1A1HPGDCA12CA1CA2 | |
| SCHEMBL8896563 | 0.78 | MAPT (0.50) | ALDH1A1HPGDLMNASMN1; SMN2KDM4E | |
| SCHEMBL2446255 | 0.78 | ALDH1A1 (0.75) | ALDH1A1HPGDLMNASMN1; SMN2KDM4E | |
| SCHEMBL17327582 | 0.77 | IKBKB (0.44) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL26640002 | 0.77 | CYP2C19 (0.46) | ALDH1A1LMNARAB9APOLBTSHR | |
| SCHEMBL10494691 | 0.77 | CA12 (0.46) | ALDH1A1LMNATSHRCA12CA1 | |
| SCHEMBL631823 | 0.74 | CYP3A4 (0.46) | ALDH1A1HPGDLMNASMN1; SMN2HTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1997020822-A1 | QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST | NOVARTIS AG (CH) | 1997-06-12 | — | — | WO | disclosed |