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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.51 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.51 |
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.51 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | HTR2B | P41595 | 1/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | MRGPRX1 | Q96LB2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.45 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11629229 | 0.92 | LMNA (0.49) | LMNAMEN1KMT2AMAPTNR1I2 | |
| SCHEMBL27837570 | 0.92 | LMNA (0.63) | LMNAMEN1KMT2AMAPTNR1I2 | |
| SCHEMBL2566716 | 0.91 | LMNA (0.55) | LMNAMEN1KMT2AMAPTNR1I2 | |
| Hydrochloric Acid SCHEMBL973645 | 0.89 | LMNA (0.54) | LMNAMEN1KMT2AMAPTNR1I2 | |
| Hydrochloric Acid SCHEMBL28520522 | 0.89 | LMNA (0.54) | LMNAMEN1KMT2AMAPTNR1I2 | |
| SCHEMBL28921374 | 0.88 | LMNA (0.48) | LMNAMEN1KMT2AMAPTNR1I2 | |
| Alcohol SCHEMBL11712776 | 0.88 | LMNA (0.53) | LMNAMEN1KMT2AMAPTNR1I2 | |
| SCHEMBL2560081 | 0.83 | LMNA (0.62) | LMNAMEN1KMT2AMAPTNR1I2 | |
| SCHEMBL27603253 | 0.81 | LMNA (0.69) | LMNAMEN1KMT2AMAPTNR1I2 | |
| Hydrochloric Acid SCHEMBL11625882 | 0.81 | LMNA (0.60) | LMNAMEN1KMT2AMAPTNR1I2 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6391885-B1 | CONTROLLING APOPTOSIS IN AUTOIMMUNE DISEASE | CELL PATHWAYS, INC. | 2002-05-21 | — | — | US | disclosed |
| US-6239136-B1 | REGULATING APOPTOSIS IN HUMAN CELLS HAVING AUTOIMMUNE DISEASE | CELL PATHWAYS, INC. | 2001-05-29 | — | — | US | disclosed |
| US-6200980-B1 | ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS | CELL PATHWAYS, INC. | 2001-03-13 | — | — | US | disclosed |
| US-6060477-A | Method of treating a patient having precancerous lesions with phenyl cycloamino pyrimidinone derivatives | CELL PATHWAYS, INC. (US) | 2000-05-09 | — | — | US | disclosed |
| US-5874440-A | ADMINISTERING TO THE PATIENT HAVING PRECANCEROUS LESIONS TO INHIBIT GROWTH OF NEOPLASTIC CELLS | CELL PATHWAYS, INC. (US) | 1999-02-23 | — | — | US | disclosed |
| EP-0349239-B1 | Condensed pyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them | SMITH KLINE FRENCH LAB (GB) | 1994-03-16 | — | — | EP | disclosed |
| EP-0351058-B1 | PYRIMIDOPYRIMIDINE DERIVATIVES | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1993-06-02 | — | — | EP | disclosed |
| US-5162316-A | Pyrimido[4,5-d]pyrimidine derivatives for use as bronchodilators | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1992-11-10 | — | — | US | disclosed |
| US-5118686-A | Administering bronchodilator agents for respiratory disorders | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1992-06-02 | — | — | US | disclosed |
| US-5075310-A | PYRIMIDONE DERIVATIVES AS BRONCHODILATORS | SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) | 1991-12-24 | — | — | US | disclosed |
| EP-0395328-A2 | Penylpyrimidone derivates and their use as therapeutic agents | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1990-10-31 | — | — | EP | disclosed |
| EP-0351058-A1 | Pyrimidopyrimidine derivatives | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1990-01-17 | — | — | EP | disclosed |