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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 3/20 | 0.58 |
| ▸ | POLB | P06746 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.58 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL4940237 | 0.95 | ALDH1A1 (0.64) | LMNAALDH1A1KDM4EPKMPOLB | |
| SCHEMBL10360133 | 0.88 | HSD11B1 (0.67) | LMNAALDH1A1KDM4EPKMPOLB | |
| SCHEMBL3235054 | 0.86 | PKM (0.57) | LMNAALDH1A1KDM4EPKMPOLB | |
| SCHEMBL3235046 | 0.86 | PKM (0.57) | LMNAALDH1A1KDM4EPKMPOLB | |
| SCHEMBL4516709 | 0.86 | PKM (0.57) | LMNAALDH1A1KDM4EPKMPOLB | |
| Tetrabuthylammonium SCHEMBL29130266 | 0.82 | ALDH1A1 (0.52) | LMNAALDH1A1KDM4EPKMPOLB | |
| SCHEMBL28882522 | 0.80 | ALDH1A1 (0.66) | LMNAALDH1A1KDM4EPKMPOLB | |
| SCHEMBL12793343 | 0.80 | USP2 (0.71) | LMNAALDH1A1KDM4EPOLBHTT | |
| SCHEMBL266466 | 0.80 | MEN1 (0.77) | LMNAALDH1A1KDM4EPKMPOLB | |
| SCHEMBL7461134 | 0.80 | ALDH1A1 (0.57) | LMNAALDH1A1KDM4EPKMPOLB |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5258380-A | Antiallergens, antihistamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-11-02 | — | — | US | disclosed |
| EP-0151826-B1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-03-31 | — | — | EP | disclosed |
| EP-0206415-B1 | (4-PIPERIDINYLMETHYL AND -HETERO)PURINES | JANSSEN PHARMACEUTICA N.V. (BE) | 1993-01-27 | — | — | EP | disclosed |
| US-5041448-A | Antiallergens | JANSSEN PHARMACEUTICA N.V. (BE) | 1991-08-20 | — | — | US | disclosed |
| US-4839374-A | TREATING ALLERGIES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1989-06-13 | — | — | US | disclosed |
| US-4695575-A | ANTIHISTAMINES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1987-09-22 | — | — | US | disclosed |
| EP-0206415-A2 | (4-Piperidinylmethyl and -hetero)purines | JANSSEN PHARMACEUTICA N.V. (BE) | 1986-12-30 | — | — | EP | disclosed |
| EP-0151826-A1 | 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1985-08-21 | — | — | EP | disclosed |