Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | TUBB4A known ✓ | P04350 | 1/20 | 0.33 |
| ▸ | TUBB known ✓ | P07437 | 1/20 | 0.33 |
| ▸ | TUBA3C known ✓ | P0DPH7 | 1/20 | 0.33 |
| ▸ | TUBA1B known ✓ | P68363 | 1/20 | 0.33 |
| ▸ | TUBA4A known ✓ | P68366 | 1/20 | 0.33 |
| ▸ | TUBB4B known ✓ | P68371 | 1/20 | 0.33 |
| ▸ | TUBB3 known ✓ | Q13509 | 1/20 | 0.33 |
| ▸ | TUBB2A known ✓ | Q13885 | 1/20 | 0.33 |
| ▸ | TUBB8 known ✓ | Q3ZCM7 | 1/20 | 0.33 |
| ▸ | TUBA3E known ✓ | Q6PEY2 | 1/20 | 0.33 |
| ▸ | TUBA1A known ✓ | Q71U36 | 1/20 | 0.33 |
| ▸ | TUBA1C known ✓ | Q9BQE3 | 1/20 | 0.33 |
| ▸ | TUBB6 known ✓ | Q9BUF5 | 1/20 | 0.33 |
| ▸ | TUBB2B known ✓ | Q9BVA1 | 1/20 | 0.33 |
| ▸ | TUBB1 known ✓ | Q9H4B7 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.72 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.72 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2816395 | 1.00 | ABCB1 (0.72) | ABCB1ABCG2PDE4BMAPTALDH1A1 | |
| SCHEMBL2812616 | 0.97 | ABCB1 (0.76) | ABCB1ABCG2PDE4BMAPTALDH1A1 | |
| SCHEMBL2815844 | 0.97 | ABCB1 (0.76) | ABCB1ABCG2PDE4BMAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL2812617 | 0.96 | ABCB1 (0.75) | ABCB1ABCG2PDE4BMAPTALDH1A1 | |
| Hydrochloric Acid SCHEMBL2812613 | 0.96 | ABCB1 (0.75) | ABCB1ABCG2PDE4BMAPTALDH1A1 | |
| SCHEMBL2816396 | 0.94 | ABCB1 (0.64) | ABCB1ABCG2PDE4BMAPTALDH1A1 | |
| SCHEMBL2813741 | 0.94 | ABCB1 (0.64) | ABCB1ABCG2PDE4BMAPTALDH1A1 | |
| SCHEMBL2813739 | 0.94 | ABCB1 (0.64) | ABCB1ABCG2PDE4BMAPTALDH1A1 | |
| SCHEMBL2814965 | 0.94 | ABCB1 (0.64) | ABCB1ABCG2PDE4BMAPTALDH1A1 | |
| SCHEMBL2814966 | 0.94 | ABCB1 (0.64) | ABCB1ABCG2PDE4BMAPTALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20100249089-A1 | ABCG2 INHIBITOR | KABUSHIKI KAISHA YAKULT HONSHA (JP) | 2010-09-30 | — | — | US | disclosed |
| EP-2218719-A1 | ABCG2 INHIBITOR | Kabushiki Kaisha Yakult Honsha (JP) | 2010-08-18 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100249089-A1 | ABCG2 INHIBITOR | ABCC1, ABCB1, ABCC5 | TUBB4A 1478/4885TUBB 1627/4885TUBA3C 3530/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.