Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25402101 | 0.86 | — | — | |
| SCHEMBL4214365 | 0.77 | HTT (0.41) | ALDH1A1SMN1; SMN2MEN1POLBKMT2A | |
| SCHEMBL28225733 | 0.77 | ALDH1A1 (0.39) | CYP2C19USP2ALDH1A1LMNACYP1A2 | |
| SCHEMBL9058813 | 0.72 | ALDH1A1 (0.40) | ALDH1A1LMNAPOLBKMT2A | |
| SCHEMBL8889211 | 0.72 | CYP2C19 (0.33) | CYP2C19USP2ALDH1A1LMNACYP1A2 | |
| SCHEMBL1694483 | 0.72 | CNR2 (0.37) | CYP2C19USP2ALDH1A1LMNACYP1A2 | |
| SCHEMBL477423 | 0.72 | HDAC4 (0.38) | CYP2C19USP2ALDH1A1LMNACYP1A2 | |
| SCHEMBL10808711 | 0.72 | ALDH1A1 (0.40) | CYP2C19USP2ALDH1A1CYP1A2SMN1; SMN2 | |
| SCHEMBL18183669 | 0.72 | CYP2C19 (0.33) | CYP2C19USP2ALDH1A1LMNACYP1A2 | |
| SCHEMBL28734388 | 0.72 | LMNA (0.36) | CYP2C19LMNACYP1A2MEN1POLB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020046132-A1 | PHARMACOLOGICAL CHAPERONES FOR ENZYME TREATMENT THERAPY | LEIDEN UNIVERSITY (NL) | 2020-03-05 | — | — | WO | disclosed |
| EP-1773791-A4 | PYRROLOTRIAZINE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2009-08-26 | — | — | EP | disclosed |
| EP-1773791-A1 | PYRROLOTRIAZINE COMPOUNDS | Bristol-Myers Squibb Company (US) | 2007-04-18 | — | — | EP | disclosed |
| WO-2006007468-A1 | PYRROLOTRIAZINE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-01-19 | — | — | WO | disclosed |