Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ACACB | O00763 | 1/20 | 0.36 |
| ▸ | ACACA | Q13085 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | TPSAB1 | Q15661 | 2/20 | 0.34 |
| ▸ | TPSD1 | Q9BZJ3 | 2/20 | 0.34 |
| ▸ | TPSG1 | Q9NRR2 | 2/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9073870 | 1.00 | ALDH1A1 (0.36) | ALDH1A1KMT2AMEN1TSHRACACB | |
| SCHEMBL17574380 | 1.00 | ALDH1A1 (0.36) | ALDH1A1KMT2AMEN1TSHRACACB | |
| SCHEMBL17574398 | 0.91 | ACACB (0.36) | ALDH1A1KMT2AMEN1TSHRACACB | |
| SCHEMBL28173828 | 0.91 | ACACB (0.36) | ALDH1A1KMT2AMEN1TSHRACACB | |
| SCHEMBL19410256 | 0.90 | ACACB (0.38) | ALDH1A1KMT2AMEN1TSHRACACB | |
| SCHEMBL15080558 | 0.88 | ALDH1A1 (0.36) | ALDH1A1KMT2AMEN1TSHRACACB | |
| SCHEMBL13519732 | 0.88 | ALDH1A1 (0.36) | ALDH1A1KMT2AMEN1TSHRACACB | |
| SCHEMBL17574400 | 0.86 | MEN1 (0.36) | ALDH1A1KMT2AMEN1TSHRKDM4E | |
| SCHEMBL28403064 | 0.86 | MEN1 (0.36) | ALDH1A1KMT2AMEN1TSHRKDM4E | |
| SCHEMBL9214872 | 0.85 | KDM4E (0.36) | ALDH1A1KMT2AMEN1TSHRACACB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107074821-B | Diamide macrocycles as FXIA inhibitors | 百时美施贵宝公司 | 2020-05-22 | — | — | CN | disclosed |
| US-5583146-A | Heterocyclic thrombin inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-12-10 | — | — | US | disclosed |
| EP-0648780-A1 | Heterocyclic thrombin inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 1995-04-19 | — | — | EP | disclosed |