Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.65 |
| ▸ | CNR1 | P21554 | 1/20 | 0.64 |
| ▸ | CNR2 | P34972 | 1/20 | 0.64 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.61 |
| ▸ | MEN1 | O00255 | 3/20 | 0.61 |
| ▸ | POLB | P06746 | 2/20 | 0.60 |
| ▸ | GAA | P10253 | 2/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL29183291 | 0.98 | ALDH1A1 (0.64) | ALDH1A1CNR1CNR2LMNAHPGD | |
| SCHEMBL29183287 | 0.85 | ALDH1A1 (0.63) | ALDH1A1LMNAHPGDSMN1; SMN2KMT2A | |
| SCHEMBL26536284 | 0.85 | ALDH1A1 (0.62) | ALDH1A1CNR1CNR2LMNAHPGD | |
| SCHEMBL6624376 | 0.84 | USP2 (0.62) | ALDH1A1SMN1; SMN2KMT2APOLBPKM | |
| SCHEMBL29183288 | 0.83 | ALDH1A1 (0.68) | ALDH1A1LMNAHPGDSMN1; SMN2KMT2A | |
| SCHEMBL29183284 | 0.82 | ALDH1A1 (0.67) | ALDH1A1LMNAHPGDSMN1; SMN2KMT2A | |
| SCHEMBL27917786 | 0.82 | ALDH1A1 (0.62) | ALDH1A1LMNAPOLBGAAPKM | |
| SCHEMBL7699722 | 0.81 | KMT2A (0.68) | ALDH1A1LMNASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL119026 | 0.81 | KMT2A (0.71) | ALDH1A1CNR1CNR2LMNASMN1; SMN2 | |
| SCHEMBL120151 | 0.80 | KMT2A (0.73) | ALDH1A1CNR1CNR2LMNASMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6127372-A | FOR TREATMENT OR PREVENTION OF VIRAL DISEASES, ESPECIALLY AIDS OR HIV | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 2000-10-03 | — | — | US | disclosed |
| EP-0749421-A1 | SULPHONAMIDE DERIVATIVES AS ASPARTYL PROTEASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 1996-12-27 | — | — | EP | disclosed |
| WO-1995024385-A1 | SULPHONAMIDE DERIVATIVES AS ASPARTYL PROTEASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1995-09-14 | — | — | WO | disclosed |