Aniline — predicted protein targets

Known targets — ChEMBL curated mechanism

ADRA1A ADRA1B ADRA1D ADRA2A ADRA2B ADRA2C ADRB1 ADRB2 ADRB3 CALCRL CHRM1 CHRM2 CHRM3 F2R MAOA MAOB MAP2K1 MAP2K2 NTRK1 NTRK2 NTRK3 OPRD1 OPRK1 OPRM1 P2RY12 PKLR SCN10A SCN11A SCN1A SCN2A SCN3A SCN4A SCN5A SCN7A SCN8A SCN9A SLC18A2 SLC6A2 SLC6A3 TLR7 TLR9 TUBA1A TUBA1B TUBA1C TUBA3C TUBA3E TUBA4A TUBB TUBB1 TUBB2A TUBB2B TUBB3 TUBB4A TUBB4B TUBB6 TUBB8 dacA dacB dacC folA ftsI mrcA mrcB mrdA pol rplA rplB rplC rplD rplE rplF rplI rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmB1 rpmB2 rpmC rpmD rpmE rpmE2 rpmF rpmG rpmG1 rpmG2 rpmH rpmI rpmJ rpmJ2 rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsR1 rpsR2 rpsS rpsT rpsU rpsZ ykgM ykgO

The experimentally established mechanism targets of Aniline. 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
▸	TSHR	P16473	5/20	0.52

▸	ALDH1A1	P00352	5/20	0.44

▸	NT5E	P21589	1/20	0.44

▸	TDP1	Q9NUW8	3/20	0.43

▸	HSD17B10	Q99714	3/20	0.43

▸	SMN1; SMN2	Q16637	1/20	0.42

▸	KDM4E	B2RXH2	3/20	0.41

▸	MAPT	P10636	3/20	0.41

▸	HPGD	P15428	2/20	0.41

▸	CYP3A4	P08684	4/20	0.39

▸	LMNA	P02545	2/20	0.39

▸	KMT2A	Q03164	2/20	0.39

▸	KEAP1	Q14145	1/20	0.39

▸	GAA	P10253	1/20	0.39

▸	BLM	P54132	1/20	0.39

▸	GFER	P55789	1/20	0.39

▸	PMP22	Q01453	1/20	0.39

▸	CYP2C9	P11712	2/20	0.39

▸	CYP1A2	P05177	1/20	0.39

▸	CYP2D6	P10635	1/20	0.39

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
Aniline SCHEMBL8022436	1.00	TSHR (0.52)	TSHRALDH1A1NT5ETDP1HSD17B10
Aniline SCHEMBL167326	0.90	TSHR (0.65)	TSHRALDH1A1NT5ETDP1HSD17B10
Aniline SCHEMBL676147	0.90	TSHR (0.65)	TSHRALDH1A1NT5ETDP1HSD17B10
Aniline SCHEMBL167327	0.90	TSHR (0.65)	TSHRALDH1A1NT5ETDP1HSD17B10
Aniline SCHEMBL28037884	0.87	TSHR (0.61)	TSHRALDH1A1NT5ETDP1HSD17B10
Aniline SCHEMBL5693986	0.87	TSHR (0.61)	TSHRALDH1A1NT5ETDP1HSD17B10
Aniline SCHEMBL3783271	0.85	TSHR (0.58)	TSHRALDH1A1NT5ETDP1HSD17B10
Aniline SCHEMBL28305697	0.85	TSHR (0.58)	TSHRALDH1A1NT5ETDP1HSD17B10
Aniline SCHEMBL7501280	0.84	TSHR (0.73)	TSHRALDH1A1TDP1HSD17B10KDM4E
Aniline SCHEMBL27650765	0.84	TSHR (0.50)	TSHRALDH1A1NT5ETDP1HSD17B10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-0971986-B1	REACTIVE DYES CONTAINING A PERMANENT QUATERNARY AMMONIUM GROUP	DYSTAR L P (US)	2001-06-27	—	—	EP	disclosed
EP-0971985-A1	REACTIVE AZO DYES HAVING A PERMANENT QUATERNARY AMMONIUM GROUP AND A FIBER-REACTIVE GROUP	DyStar L.P. (US)	2000-01-19	—	—	EP	disclosed
EP-0971986-A1	REACTIVE DYES CONTAINING A PERMANENT QUATERNARY AMMONIUM GROUP	DyStar L.P. (US)	2000-01-19	—	—	EP	disclosed
US-5932708-A	DYEING COTTON, CELLULOSE, POLYAMIDE, WOOL; HIGH COLOR INTENSITY, COLORFASTNESS	DYSTAR, L.P. (US)	1999-08-03	—	—	US	disclosed
US-5925745-A	DIAMINO-1,3,5-TRIAZINE DYE DERIVATIVES; COLOR- AND WASHFASTNESS; CELLULOSE, WOOL	DYSTAR, L.P. (US)	1999-07-20	—	—	US	disclosed
WO-1998042785-A1	REACTIVE DYES CONTAINING A PERMANENT QUATERNARY AMMONIUM GROUP	DYSTAR L. P. (US)	1998-10-01	—	—	WO	disclosed
WO-1998042784-A1	REACTIVE AZO DYES HAVING A PERMANENT QUATERNARY AMMONIUM GROUP AND A FIBER-REACTIVE GROUP	DYSTAR L.P. (US)	1998-10-01	—	—	WO	disclosed