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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTR | Q99707 | 1/20 | 0.38 |
| ▸ | CCR5 | P51681 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 3/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL8649403 | 0.93 | MTR (0.43) | MTRCCR5MEN1KMT2ANPC1 | |
| SCHEMBL8643747 | 0.83 | MTR (0.44) | MTRCCR5MEN1KMT2AALDH1A1 | |
| Fumaric Acid SCHEMBL8643277 | 0.77 | ALDH1A1 (0.39) | MTRCCR5MEN1KMT2AALDH1A1 | |
| Fumaric Acid SCHEMBL8643287 | 0.77 | ALDH1A1 (0.39) | MTRCCR5MEN1KMT2AALDH1A1 | |
| SCHEMBL8644070 | 0.75 | OPRL1 (0.33) | MTRCCR5BCHEOPRM1OPRL1 | |
| SCHEMBL8787526 | 0.74 | ALDH1A1 (0.42) | MEN1KMT2AALDH1A1 | |
| SCHEMBL8651156 | 0.73 | FBP1 (0.36) | KMT2ANPC1ALDH1A1RAB9A | |
| SCHEMBL8649409 | 0.72 | MC4R (0.41) | MEN1KMT2ANPC1RAB9ABCHE | |
| SCHEMBL8646814 | 0.72 | PRMT5 (0.35) | NPC1RAB9A | |
| Fumaric Acid SCHEMBL8788512 | 0.72 | KMT2A (0.42) | MEN1KMT2AALDH1A1THRB |
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-5773437-A | UROGENITAL DISORDERS SUCH AS DYSURIA | NIPPON CHEMIPHAR CO., LTD. (JP) | 1998-06-30 | — | — | US | disclosed |
| EP-0753514-A1 | ALKYLENEDIAMINE DERIVATIVE | NIPPON CHEMIPHAR CO., LTD. (JP) | 1997-01-15 | — | — | EP | disclosed |