Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.37 |
| ▸ | WNT3A | P56704 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4780632 | 0.80 | LMNA (0.41) | LMNASMN1; SMN2ELANETP53MEN1 | |
| SCHEMBL14818779 | 0.78 | ALDH1A1 (0.50) | LMNASMN1; SMN2ELANETP53MEN1 | |
| SCHEMBL28419650 | 0.74 | ARG1 (0.44) | SMN1; SMN2KMT2AESR1CYP1A2CYP3A4 | |
| SCHEMBL30554011 | 0.73 | ALDH1A1 (0.41) | KMT2ACYP1A2CYP3A4CYP2C9PKM | |
| SCHEMBL4782026 | 0.73 | ELANE (0.40) | LMNASMN1; SMN2ELANECHRM1MEN1 | |
| SCHEMBL15678230 | 0.71 | ELANE (0.43) | ELANEMEN1KMT2ACTNNB1WNT3A | |
| SCHEMBL697921 | 0.71 | RAB9A (0.51) | LMNASMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL697005 | 0.69 | RAB9A (0.49) | LMNASMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL699102 | 0.69 | RAB9A (0.49) | LMNASMN1; SMN2MEN1KMT2AALDH1A1 | |
| SCHEMBL10421136 | 0.69 | F13A1 (0.40) | SMN1; SMN2KMT2AESR1CYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008067222-A1 | HETEROCYCLIC MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2008-06-05 | — | — | WO | disclosed |
| WO-2008067222-A1 | HETEROCYCLIC MODULATORS OF TGR5 | KALYPSYS, INC. (US) | 2008-06-05 | — | — | WO | disclosed |