Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 5/20 | 0.49 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.47 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.47 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14413854 | 0.76 | NPSR1 (0.69) | ALDH1A1HTT | |
| SCHEMBL19732952 | 0.76 | NPSR1 (0.69) | ALDH1A1HTT | |
| SCHEMBL4425507 | 0.73 | LMNA (0.39) | ALDH1A1LMNARECQLMEN1KMT2A | |
| SCHEMBL6609319 | 0.70 | ALDH1A1 (0.46) | ALDH1A1CYP2C9 | |
| SCHEMBL3395610 | 0.70 | KIF11 (0.75) | ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL19752619 | 0.70 | KIF11 (0.75) | ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL10564440 | 0.68 | CACNA1F (0.61) | ALDH1A1 | |
| SCHEMBL8030679 | 0.68 | DRD2 (0.44) | ALDH1A1MEN1KMT2A | |
| SCHEMBL13425599 | 0.68 | TP53 (0.50) | ALDH1A1LMNA | |
| SCHEMBL10113323 | 0.67 | KMT2A (0.74) | ALDH1A1HTTLMNASMN1; SMN2MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007101213-A2 | NOVEL 2-OXO-1,2,3,4-TETRAHYDROPYRIMIDINES, BICYCLIC PYRIMIDINE DIONES AND IMIDAZOLIDINE-2,4-DIONES USEFUL AS INDUCIBLE NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2007-09-07 | — | — | WO | disclosed |