Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 9/20 | 0.73 |
| ▸ | NPC1 | O15118 | 8/20 | 0.73 |
| ▸ | PKM | P14618 | 7/20 | 0.73 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.69 |
| ▸ | TP53 | P04637 | 7/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.65 |
| ▸ | MAPT | P10636 | 4/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.65 |
| ▸ | TSHR | P16473 | 3/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.65 |
| ▸ | HPGD | P15428 | 2/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.65 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.65 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.58 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.55 |
| ▸ | RELA | Q04206 | 1/20 | 0.55 |
| ▸ | ATR | Q13535 | 1/20 | 0.54 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.54 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL23657562 | 0.84 | RAB9A (1.00) | RAB9ANPC1PKMSMN1; SMN2TP53 | |
| SCHEMBL5959953 | 0.81 | PKM (1.00) | RAB9ANPC1PKMSMN1; SMN2TP53 | |
| SCHEMBL1423031 | 0.79 | CHRNB2 (0.71) | RAB9ANPC1PKMSMN1; SMN2TP53 | |
| SCHEMBL2463534 | 0.78 | SMN1; SMN2 (0.93) | RAB9ANPC1SMN1; SMN2TP53ALDH1A1 | |
| SCHEMBL2460914 | 0.78 | NPC1 (0.74) | RAB9ANPC1PKMSMN1; SMN2TP53 | |
| Dimethylamine SCHEMBL4192736 | 0.76 | PKM (0.88) | RAB9ANPC1PKMSMN1; SMN2TP53 | |
| SCHEMBL4186570 | 0.75 | TP53 (0.74) | RAB9ANPC1PKMSMN1; SMN2TP53 | |
| SCHEMBL3796996 | 0.75 | SMN1; SMN2 (1.00) | RAB9ANPC1PKMSMN1; SMN2TP53 | |
| SCHEMBL166615 | 0.74 | CYP2A6 (0.52) | RAB9AALDH1A1KDM4E | |
| SCHEMBL29904375 | 0.74 | CYP2A6 (0.52) | RAB9AALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-4059932-A1 | COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE | Vertex Pharmaceuticals Incorporated (US) | 2022-09-21 | — | — | EP | disclosed |