Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.50 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.50 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.50 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.50 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.50 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.50 |
| ▸ | GABRP | O00591 | 1/20 | 0.50 |
| ▸ | GABRD | O14764 | 1/20 | 0.50 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.50 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.50 |
| ▸ | GABRE | P78334 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.50 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.50 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.50 |
| ▸ | NOS2 | P35228 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4629632 | 0.86 | GABRA1 (0.54) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| SCHEMBL3949668 | 0.76 | GABRA1 (0.54) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| SCHEMBL1298 | 0.75 | — | — | |
| SCHEMBL4539455 | 0.75 | GABRA1 (0.59) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| SCHEMBL4756224 | 0.75 | KDM4E (0.66) | TSHRNOS2KMT2ACYP2D6KDM4E | |
| SCHEMBL18519653 | 0.74 | TSHR (0.46) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| SCHEMBL19815905 | 0.73 | TSHR (0.64) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| Hydrochloric Acid SCHEMBL2674808 | 0.73 | GABRA1 (0.56) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| Hydrochloric Acid SCHEMBL4716510 | 0.73 | GABRA1 (0.56) | GABRA1TSHRGABRG2GABRB3GABRA5 | |
| SCHEMBL6419455 | 0.73 | GABRA1 (0.50) | GABRA1TSHRGABRG2GABRB3GABRA5 |
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-2008133344-A2 | PIPERIDINE DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-11-06 | — | — | WO | claimed |
| WO-2008133344-A2 | PIPERIDINE DERIVATIVE AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-11-06 | — | — | WO | disclosed |