Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.43 |
| ▸ | RELA | Q04206 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28980278 | 0.82 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9ACYP2C9MAPT | |
| SCHEMBL30242191 | 0.82 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9ACYP2C9MAPT | |
| SCHEMBL22418957 | 0.79 | ALDH1A1 (0.43) | ALDH1A1NPC1RAB9ACYP2C9LMNA | |
| SCHEMBL22418936 | 0.73 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2NPC1RAB9ACYP2C9 | |
| SCHEMBL25317305 | 0.73 | TUBB4A (0.50) | ALDH1A1HPGDNPC1RAB9APTGS2 | |
| SCHEMBL8387974 | 0.72 | MAPT (0.47) | KDM4EALDH1A1CYP2C9MAPTADAM17 | |
| SCHEMBL7313548 | 0.71 | RAD52 (0.45) | KDM4EALDH1A1SMN1; SMN2HPGDNPC1 | |
| SCHEMBL8188534 | 0.70 | BRD9 (0.38) | KDM4EALDH1A1SMN1; SMN2HPGDNPC1 | |
| SCHEMBL9288141 | 0.69 | TUBB4A (0.47) | KDM4EALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL10680998 | 0.69 | TUBB4A (0.33) | KDM4ETSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6060469-A | Spiro-piperidine derivatives and their use as tachykinin antagonists | MERCK SHARP & DOHME LTD. (GB) | 2000-05-09 | — | — | US | disclosed |