Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Pimecrolimus. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FKBP1A known ✓ | P62942 | 18/20 | 0.90 |
| ▸ | ABCB11 | O95342 | 2/20 | 1.00 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 1.00 |
| ▸ | FKBP4 | Q02790 | 2/20 | 0.90 |
| ▸ | MEN1 | O00255 | 1/20 | 0.90 |
| ▸ | LMNA | P02545 | 1/20 | 0.90 |
| ▸ | MAPT | P10636 | 1/20 | 0.90 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.90 |
| ▸ | THRB | P10828 | 1/20 | 0.90 |
| ▸ | PPP3CA | Q08209 | 2/20 | 0.79 |
| ▸ | MLNR | O43193 | 1/20 | 0.79 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.79 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.79 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.79 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.79 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.79 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.79 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.79 |
| ▸ | HTR2A | P28223 | 1/20 | 0.79 |
| ▸ | HTR2B | P41595 | 1/20 | 0.79 |
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 | |
|---|---|---|---|---|
| Pimecrolimus SCHEMBL26411 | 1.00 | ABCB11 (1.00) | ABCB11ADORA3FKBP1AFKBP4MEN1 | |
| Pimecrolimus SCHEMBL3854625 | 1.00 | ABCB11 (1.00) | ABCB11ADORA3FKBP1AFKBP4MEN1 | |
| Pimecrolimus SCHEMBL8194907 | 1.00 | ABCB11 (1.00) | ABCB11ADORA3FKBP1AFKBP4MEN1 | |
| Pimecrolimus SCHEMBL4651515 | 1.00 | ABCB11 (1.00) | ABCB11ADORA3FKBP1AFKBP4MEN1 | |
| Pimecrolimus SCHEMBL438880 | 1.00 | ABCB11 (1.00) | ABCB11ADORA3FKBP1AFKBP4MEN1 | |
| Pimecrolimus SCHEMBL117937 | 1.00 | ABCB11 (1.00) | ABCB11ADORA3FKBP1AFKBP4MEN1 | |
| Pimecrolimus SCHEMBL436549 | 1.00 | ABCB11 (1.00) | ABCB11ADORA3FKBP1AFKBP4MEN1 | |
| Pimecrolimus SCHEMBL9947518 | 1.00 | ABCB11 (1.00) | ABCB11ADORA3FKBP1AFKBP4MEN1 | |
| Pimecrolimus SCHEMBL4456276 | 1.00 | ABCB11 (1.00) | ABCB11ADORA3FKBP1AFKBP4MEN1 | |
| Pimecrolimus SCHEMBL15277958 | 1.00 | ABCB11 (1.00) | ABCB11ADORA3FKBP1AFKBP4MEN1 |
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-8173840-B2 | Compounds with high therapeutic index | SIGNATURE R&D HOLDINGS, LLC (US) | 2012-05-08 | — | — | US | disclosed |