Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 5/20 | 0.33 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.31 |
| ▸ | SAT1 | P21673 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4192702 | 0.97 | CYP2C19 (0.39) | CYP2C19MEN1KMT2AGLACYP1A2 | |
| SCHEMBL3972281 | 0.97 | CYP2C19 (0.43) | CYP2C19MEN1KMT2AGLACYP1A2 | |
| SCHEMBL250410 | 0.92 | CYP2C19 (0.43) | CYP2C19MEN1KMT2AGLACYP1A2 | |
| SCHEMBL23975243 | 0.90 | TSHR (0.42) | CYP2C19MEN1KMT2AGLACYP1A2 | |
| SCHEMBL8803099 | 0.89 | CYP2C19 (0.41) | CYP2C19MEN1KMT2AGLACYP1A2 | |
| Ammonia Solution, Strong SCHEMBL11798888 | 0.89 | CYP2C19 (0.41) | CYP2C19MEN1KMT2AGLACYP1A2 | |
| SCHEMBL12069860 | 0.87 | PRMT3 (0.40) | CYP2C19MEN1KMT2AGLACYP1A2 | |
| SCHEMBL8343447 | 0.86 | CYP2C19 (0.46) | CYP2C19MEN1KMT2AGLACYP1A2 | |
| Hydrochloric Acid SCHEMBL8316323 | 0.86 | CYP2C19 (0.39) | CYP2C19MEN1KMT2AGLACYP1A2 | |
| SCHEMBL13267574 | 0.85 | TSHR (0.50) | CYP2C19MEN1KMT2AGLACYP1A2 |
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-5541189-A | Substituted aliphatic amine-containing macrocyclic immunomodulators | ABBOTT LABORATORIES (US) | 1996-07-30 | — | — | US | disclosed |
| WO-1994021253-A1 | SUBSTITUTED ALIPHATIC AMINE-CONTAINING MACROCYCLIC IMMUNOMODULATORS | ABBOTT LABORATORIES (US) | 1994-09-29 | — | — | WO | disclosed |