Timcodar — predicted protein targets

Known targets — ChEMBL curated mechanism

ABL1 ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB2 AGTR1 BCL2 BCL2A1 BCL2L1 BCL2L10 BCL2L2 BCR BRAF CHRM1 CHRNA10 CHRNA9 DRD1 DRD2 DRD3 DRD4 DRD5 EGFR F2 FLT1 FLT4 GCK GHSR GNRHR GRIN1 GRIN2A GRIN2B GRIN2C GRIN2D GRIN3A GRIN3B HTR1A HTR1B HTR1D HTR2A HTR2C HTR3A IDH2 KDR KIT MAOB MCL1 MTTP P P4HB PDGFRB PIK3CA PIK3CB PIK3CD PIK3CG PIK3R1 PIK3R2 PIK3R3 PIK3R5 PIKFYVE ROCK1 ROCK2 SLC18A2 SLC6A2 SLC6A3 SLC6A4 TACR1 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 gyrA gyrB parC parE pol

The experimentally established mechanism targets of Timcodar. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

	gene	UniProt	supporting neighbours	confidence
▸	ALDH1A1	P00352	2/20	0.36

▸	KMT2A	Q03164	2/20	0.36

▸	GAA	P10253	1/20	0.36

▸	LMNA	P02545	3/20	0.35

▸	L3MBTL1	Q9Y468	2/20	0.35

▸	MAPK1	P28482	1/20	0.35

▸	HPGD	P15428	1/20	0.35

▸	HTT	P42858	3/20	0.34

▸	SMN1; SMN2	Q16637	1/20	0.34

▸	TDP1	Q9NUW8	1/20	0.34

▸	MAPT	P10636	2/20	0.34

▸	LPAR1	Q92633	2/20	0.34

▸	NPSR1	Q6W5P4	1/20	0.34

▸	AVPR1A	P37288	2/20	0.34

▸	AVPR1B	P47901	1/20	0.34

▸	KDM4E	B2RXH2	1/20	0.34

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
SCHEMBL6570448	0.96	L3MBTL1 (0.37)	ALDH1A1KMT2ALMNAL3MBTL1MAPK1
Timcodar SCHEMBL3673444	0.96	L3MBTL1 (0.37)	ALDH1A1KMT2ALMNAL3MBTL1MAPK1
Timcodar SCHEMBL1492143	0.96	L3MBTL1 (0.37)	ALDH1A1KMT2ALMNAL3MBTL1MAPK1
SCHEMBL6570451	0.96	L3MBTL1 (0.37)	ALDH1A1KMT2ALMNAL3MBTL1MAPK1
SCHEMBL6573929	0.92	L3MBTL1 (0.40)	ALDH1A1KMT2ALMNAL3MBTL1MAPK1
SCHEMBL6573934	0.92	L3MBTL1 (0.40)	ALDH1A1KMT2ALMNAL3MBTL1MAPK1
SCHEMBL6572477	0.90	SLC2A1 (0.39)	KMT2ALMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL6570405	0.90	SLC2A1 (0.39)	KMT2ALMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL6572534	0.89	SLC2A4 (0.39)	ALDH1A1KMT2ALMNAL3MBTL1MAPK1
SCHEMBL6570385	0.89	SLC2A4 (0.39)	ALDH1A1KMT2ALMNAL3MBTL1MAPK1

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
CN-117771378-A	Pharmaceutical composition for improving bioavailability of KRAS inhibitor and application thereof	贝达药业股份有限公司	2024-03-29	—	—	CN	claimed
US-12109219-B2	Cannabinoid receptor modulators	ARENA PHARMACEUTICALS, INC. (US)	2024-10-08	—	—	US	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-12109219-B2	Cannabinoid receptor modulators	CNR1, CNR2, GPR18	ALDH1A1 2571/4885KMT2A 2041/4885GAA 4513/4885

“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.