Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL11285445 | 0.98 | TP53 (0.40) | TP53CYP3A4TSHRHSD17B10MAPT | |
| SCHEMBL6542942 | 0.82 | TSHR (0.38) | CYP3A4TSHRALDH1A1LMNAHSD17B10 | |
| SCHEMBL11639405 | 0.81 | CYP2C19 (0.42) | TSHRALDH1A1LMNAUSP2CYP1A2 | |
| SCHEMBL26135862 | 0.80 | TSHR (0.41) | TSHRALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL1137769 | 0.79 | CYP2C19 (0.39) | TSHRALDH1A1LMNAUSP2CYP1A2 | |
| SCHEMBL11638039 | 0.77 | TSHR (0.39) | TP53TSHRALDH1A1LMNAHSD17B10 | |
| SCHEMBL6821512 | 0.77 | KMT2A (0.45) | CYP3A4TSHRALDH1A1SMN1; SMN2HSD17B10 | |
| SCHEMBL10733001 | 0.75 | TP53 (0.38) | TP53CYP3A4TSHRALDH1A1LMNA | |
| SCHEMBL8321282 | 0.75 | TP53 (0.38) | TP53CYP3A4TSHRALDH1A1LMNA | |
| SCHEMBL8415954 | 0.74 | TP53 (0.34) | TP53 |
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-4128560-A | Tricyclic alkylamine derivatives | AYERST MCKENNA & HARRISON LTD. (CA) | 1978-12-05 | — | — | US | disclosed |
| US-4057559-A | ANTIINFLAMMATORY AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1977-11-08 | — | — | US | disclosed |